7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine

C158H130F18N36 — CID 172961173

IUPAC7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
SMILESCc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(-c3ccccc3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(C3CC3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(CC3CC3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(-c3ccccc3)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(C3CC3)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(CC3CC3)ccc12
InChIInChI=1S/2C28H21F3N6.2C26H23F3N6.2C25H21F3N6/c1-18-24-11-6-12-25(19-7-3-2-4-8-19)26(24)36-27(34-18)37-33-17-22-13-14-23(16-32-22)35-21-10-5-9-20(15-21)28(29,30)31;1-18-25-13-10-20(19-6-3-2-4-7-19)14-26(25)36-27(34-18)37-33-17-23-11-12-24(16-32-23)35-22-9-5-8-21(15-22)28(29,30)31;1-16-23-7-2-4-18(12-17-8-9-17)24(23)34-25(32-16)35-31-15-21-10-11-22(14-30-21)33-20-6-3-5-19(13-20)26(27,28)29;1-16-23-10-7-18(11-17-5-6-17)12-24(23)34-25(32-16)35-31-15-21-8-9-22(14-30-21)33-20-4-2-3-19(13-20)26(27,28)29;1-15-21-6-3-7-22(16-8-9-16)23(21)33-24(31-15)34-30-14-19-10-11-20(13-29-19)32-18-5-2-4-17(12-18)25(26,27)28;1-15-22-10-7-17(16-5-6-16)11-23(22)33-24(31-15)34-30-14-20-8-9-21(13-29-20)32-19-4-2-3-18(12-19)25(26,27)28/h2*2-17,35H,1H3,(H,34,36,37);2-7,10-11,13-15,17,33H,8-9,12H2,1H3,(H,32,34,35);2-4,7-10,12-15,17,33H,5-6,11H2,1H3,(H,32,34,35);2-7,10-14,16,32H,8-9H2,1H3,(H,31,33,34);2-4,7-14,16,32H,5-6H2,1H3,(H,31,33,34)/b2*33-17+;2*31-15+;2*30-14+
InChIKeyFYZVFSJBTQCJTG-NXANDBTPSA-N
MW2874.99 g/mol
LogP40.24
Rot. Bonds38

About 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine

7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine (PubChem CID 172961173) has the molecular formula C158H130F18N36 and a molecular weight of 2874.99 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
PubChem CID172961173
Molecular FormulaC158H130F18N36
Molecular Weight2874.99 g/mol
Exact Mass2873.10
IUPAC Name7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
SMILESCc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(-c3ccccc3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(C3CC3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(CC3CC3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(-c3ccccc3)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(C3CC3)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(CC3CC3)ccc12
InChIInChI=1S/2C28H21F3N6.2C26H23F3N6.2C25H21F3N6/c1-18-24-11-6-12-25(19-7-3-2-4-8-19)26(24)36-27(34-18)37-33-17-22-13-14-23(16-32-22)35-21-10-5-9-20(15-21)28(29,30)31;1-18-25-13-10-20(19-6-3-2-4-7-19)14-26(25)36-27(34-18)37-33-17-23-11-12-24(16-32-23)35-22-9-5-8-21(15-22)28(29,30)31;1-16-23-7-2-4-18(12-17-8-9-17)24(23)34-25(32-16)35-31-15-21-10-11-22(14-30-21)33-20-6-3-5-19(13-20)26(27,28)29;1-16-23-10-7-18(11-17-5-6-17)12-24(23)34-25(32-16)35-31-15-21-8-9-22(14-30-21)33-20-4-2-3-19(13-20)26(27,28)29;1-15-21-6-3-7-22(16-8-9-16)23(21)33-24(31-15)34-30-14-19-10-11-20(13-29-19)32-18-5-2-4-17(12-18)25(26,27)28;1-15-22-10-7-17(16-5-6-16)11-23(22)33-24(31-15)34-30-14-20-8-9-21(13-29-20)32-19-4-2-3-18(12-19)25(26,27)28/h2*2-17,35H,1H3,(H,34,36,37);2-7,10-11,13-15,17,33H,8-9,12H2,1H3,(H,32,34,35);2-4,7-10,12-15,17,33H,5-6,11H2,1H3,(H,32,34,35);2-7,10-14,16,32H,8-9H2,1H3,(H,31,33,34);2-4,7-14,16,32H,5-6H2,1H3,(H,31,33,34)/b2*33-17+;2*31-15+;2*30-14+
InChIKeyFYZVFSJBTQCJTG-NXANDBTPSA-N
XLogP40.24
TPSA450.54 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.99
LogP ≤ 540.24
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-N-cyclopropyl-4-methyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine
CID 172973630
ethane;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 143431222
4-methyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine
CID 143430854
8-(cyclopropylmethyl)-4-methyl-N-[(E)-2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethenyl]quinazolin-2-amine
CID 118600176
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 58877264
4-methyl-8-N-(2-methylpropyl)-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,8-diamine;4-methyl-8-N-propan-2-yl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,8-diamine
CID 172961249
4-methyl-7-N-(2-methylpropyl)-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine;4-methyl-7-N-propan-2-yl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine;7-N,7-N,4-trimethyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine;8-N,8-N,4-trimethyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,8-diamine
CID 172946748
4-(5-benzyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[5-(cyclopropylmethyl)-3-pyridinyl]-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-cyclopropyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-(5-ethyl-3-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-propan-2-yl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172969990
2-[1-[6-methyl-2-[(2Z)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 149338581
4-methyl-6-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(triiodomethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 172940649
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(5-methyl-3-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-pyridin-2-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
CID 172960530
4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876764

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine?
The IUPAC name of 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine (CID 172961173) is 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine.
What is the SMILES notation for 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine?
The canonical SMILES for 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine is Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(-c3ccccc3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(C3CC3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(CC3CC3)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(-c3ccccc3)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(C3CC3)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(CC3CC3)ccc12.
What is the InChIKey of 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine?
The InChIKey is FYZVFSJBTQCJTG-NXANDBTPSA-N. The full InChI is InChI=1S/2C28H21F3N6.2C26H23F3N6.2C25H21F3N6/c1-18-24-11-6-12-25(19-7-3-2-4-8-19)26(24)36-27(34-18)37-33-17-22-13-14-23(16-32-22)35-21-10-5-9-20(15-21)28(29,30)31;1-18-25-13-10-20(19-6-3-2-4-7-19)14-26(25)36-27(34-18)37-33-17-23-11-12-24(16-32-23)35-22-9-5-8-21(15-22)28(29,30)31;1-16-23-7-2-4-18(12-17-8-9-17)24(23)34-25(32-16)35-31-15-21-10-11-22(14-30-21)33-20-6-3-5-19(13-20)26(27,28)29;1-16-23-10-7-18(11-17-5-6-17)12-24(23)34-25(32-16)35-31-15-21-8-9-22(14-30-21)33-20-4-2-3-19(13-20)26(27,28)29;1-15-21-6-3-7-22(16-8-9-16)23(21)33-24(31-15)34-30-14-19-10-11-20(13-29-19)32-18-5-2-4-17(12-18)25(26,27)28;1-15-22-10-7-17(16-5-6-16)11-23(22)33-24(31-15)34-30-14-20-8-9-21(13-29-20)32-19-4-2-3-18(12-19)25(26,27)28/h2*2-17,35H,1H3,(H,34,36,37);2-7,10-11,13-15,17,33H,8-9,12H2,1H3,(H,32,34,35);2-4,7-10,12-15,17,33H,5-6,11H2,1H3,(H,32,34,35);2-7,10-14,16,32H,8-9H2,1H3,(H,31,33,34);2-4,7-14,16,32H,5-6H2,1H3,(H,31,33,34)/b2*33-17+;2*31-15+;2*30-14+.
What are the key properties of 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine?
7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine has a molecular weight of 2874.99 g/mol, XLogP of 40.24, 38 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-(cyclopropylmethyl)-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;7-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;8-cyclopropyl-4-methyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-8-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine is sourced from PubChem (CID 172961173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).