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

C99H94F12N28 — CID 172946748

About 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

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 (PubChem CID 172946748) has the molecular formula C99H94F12N28 and a molecular weight of 1904.01 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 172946748
• Molecular Formula: C99H94F12N28
• Molecular Weight: 1904.01 g/mol
• Exact Mass: 1902.80
• IUPAC Name: 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
• SMILES: Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(N(C)C)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(N(C)C)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(NC(C)C)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(NCC(C)C)ccc12
• InChI: InChI=1S/C26H26F3N7.C25H24F3N7.2C24H22F3N7/c1-16(2)13-30-19-9-10-23-17(3)33-25(35-24(23)12-19)36-32-15-21-7-8-22(14-31-21)34-20-6-4-5-18(11-20)26(27,28)29;1-15(2)31-19-9-10-22-16(3)32-24(34-23(22)12-19)35-30-14-20-7-8-21(13-29-20)33-18-6-4-5-17(11-18)25(26,27)28;1-15-20-8-5-9-21(34(2)3)22(20)32-23(30-15)33-29-14-18-10-11-19(13-28-18)31-17-7-4-6-16(12-17)24(25,26)27;1-15-21-10-9-20(34(2)3)12-22(21)32-23(30-15)33-29-14-18-7-8-19(13-28-18)31-17-6-4-5-16(11-17)24(25,26)27/h4-12,14-16,30,34H,13H2,1-3H3,(H,33,35,36);4-15,31,33H,1-3H3,(H,32,34,35);2*4-14,31H,1-3H3,(H,30,32,33)/b32-15+;30-14+;2*29-14+
• InChIKey: BPHMPPXESJEZBS-OADZNUBFSA-N
• XLogP: 24.19
• TPSA: 330.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1904.01
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(N(C)C)cccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(N(C)C)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(NC(C)C)ccc12.Cc1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2cc(NCC(C)C)ccc12.

What is the InChIKey of 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?

The InChIKey is BPHMPPXESJEZBS-OADZNUBFSA-N. The full InChI is InChI=1S/C26H26F3N7.C25H24F3N7.2C24H22F3N7/c1-16(2)13-30-19-9-10-23-17(3)33-25(35-24(23)12-19)36-32-15-21-7-8-22(14-31-21)34-20-6-4-5-18(11-20)26(27,28)29;1-15(2)31-19-9-10-22-16(3)32-24(34-23(22)12-19)35-30-14-20-7-8-21(13-29-20)33-18-6-4-5-17(11-18)25(26,27)28;1-15-20-8-5-9-21(34(2)3)22(20)32-23(30-15)33-29-14-18-10-11-19(13-28-18)31-17-7-4-6-16(12-17)24(25,26)27;1-15-21-10-9-20(34(2)3)12-22(21)32-23(30-15)33-29-14-18-7-8-19(13-28-18)31-17-6-4-5-16(11-17)24(25,26)27/h4-12,14-16,30,34H,13H2,1-3H3,(H,33,35,36);4-15,31,33H,1-3H3,(H,32,34,35);2*4-14,31H,1-3H3,(H,30,32,33)/b32-15+;30-14+;2*29-14+.

What are the key properties of 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?

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 has a molecular weight of 1904.01 g/mol, XLogP of 24.19, 27 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 172946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).