6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

C97H64Cl2F8N20O2 — CID 159035946

IUPAC6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCOc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C20H13F3N4O.C20H16N4O.C19H11ClF2N4.C19H12ClFN4.C19H12F2N4/c21-20(22,23)28-14-4-1-3-13(9-14)18-15(5-2-8-25-18)12-6-7-17-16(10-12)19(24)27-11-26-17;1-25-15-5-2-4-14(10-15)19-16(6-3-9-22-19)13-7-8-18-17(11-13)20(21)24-12-23-18;20-14-7-12(15(21)8-16(14)22)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-12-4-5-16(21)14(9-12)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-5-3-12(9-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h1-11H,(H2,24,26,27);2-12H,1H3,(H2,21,23,24);1-9H,(H2,23,25,26);2*1-10H,(H2,22,24,25)
InChIKeyJVLOTVRMLGNTIE-UHFFFAOYSA-N
MW1764.61 g/mol
LogP22.61
Rot. Bonds12

About 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 159035946) has the molecular formula C97H64Cl2F8N20O2 and a molecular weight of 1764.61 g/mol. Its IUPAC name is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
PubChem CID159035946
Molecular FormulaC97H64Cl2F8N20O2
Molecular Weight1764.61 g/mol
Exact Mass1762.48
IUPAC Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCOc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C20H13F3N4O.C20H16N4O.C19H11ClF2N4.C19H12ClFN4.C19H12F2N4/c21-20(22,23)28-14-4-1-3-13(9-14)18-15(5-2-8-25-18)12-6-7-17-16(10-12)19(24)27-11-26-17;1-25-15-5-2-4-14(10-15)19-16(6-3-9-22-19)13-7-8-18-17(11-13)20(21)24-12-23-18;20-14-7-12(15(21)8-16(14)22)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-12-4-5-16(21)14(9-12)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-5-3-12(9-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h1-11H,(H2,24,26,27);2-12H,1H3,(H2,21,23,24);1-9H,(H2,23,25,26);2*1-10H,(H2,22,24,25)
InChIKeyJVLOTVRMLGNTIE-UHFFFAOYSA-N
XLogP22.61
TPSA341.91 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001764.61
LogP ≤ 522.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[4-[3-(difluoromethoxy)phenyl]-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789666
N-[3-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789690
4-[4-(6-chloro-2-methoxyacridin-9-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-2-amine
CID 155812806
[2-(4-Chlorophenyl)ethyl]-(9-methoxy-5-trifluoromethylpyrimido[5,4-c]quinolin-4-yl)amine
CID 6426147
N-(3-chloro-4-fluorophenyl)-6-(6-methoxypyridin-3-yl)-2-(pyridin-3-yl)quinazolin-4-amine
CID 67298192
3-[3-methoxy-5-(trifluoromethyl)phenyl]-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine
CID 67436678
8-(2-Aminoquinazolin-6-yl)-2-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 68179976
N-(3-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)quinazolin-4-amine
CID 69168252
6-(4-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179851
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
6-(2-fluoro-3-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179905
N-(3,4-difluorophenyl)-6-(2-fluoro-3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180138

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (CID 159035946) is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is COc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12.
What is the InChIKey of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is JVLOTVRMLGNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O.C20H16N4O.C19H11ClF2N4.C19H12ClFN4.C19H12F2N4/c21-20(22,23)28-14-4-1-3-13(9-14)18-15(5-2-8-25-18)12-6-7-17-16(10-12)19(24)27-11-26-17;1-25-15-5-2-4-14(10-15)19-16(6-3-9-22-19)13-7-8-18-17(11-13)20(21)24-12-23-18;20-14-7-12(15(21)8-16(14)22)18-11(2-1-5-24-18)10-3-4-17-13(6-10)19(23)26-9-25-17;20-12-4-5-16(21)14(9-12)18-13(2-1-7-23-18)11-3-6-17-15(8-11)19(22)25-10-24-17;20-15-5-3-12(9-16(15)21)18-13(2-1-7-23-18)11-4-6-17-14(8-11)19(22)25-10-24-17/h1-11H,(H2,24,26,27);2-12H,1H3,(H2,21,23,24);1-9H,(H2,23,25,26);2*1-10H,(H2,22,24,25).
What are the key properties of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 1764.61 g/mol, XLogP of 22.61, 12 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 159035946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).