7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

C102H79Cl2F5N24O2 — CID 159394529

IUPAC7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(N)nc(N)nc3c2)ccc1F.Nc1nc(N)c2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.Nc1nc(N)c2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2n1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12
InChIInChI=1S/C23H21N5O.C21H15F3N4O.C20H16FN5.C19H13ClFN5.C19H14ClN5/c24-23-20-14-16(6-7-21(20)26-15-27-23)19-5-2-8-25-22(19)17-3-1-4-18(13-17)28-9-11-29-12-10-28;22-21(23,24)11-29-15-4-1-3-14(9-15)19-16(5-2-8-26-19)13-6-7-18-17(10-13)20(25)28-12-27-18;1-11-9-13(5-7-16(11)21)18-14(3-2-8-24-18)12-4-6-15-17(10-12)25-20(23)26-19(15)22;20-14-8-11(4-6-15(14)21)17-12(2-1-7-24-17)10-3-5-13-16(9-10)25-19(23)26-18(13)22;20-13-4-1-3-12(9-13)17-14(5-2-8-23-17)11-6-7-15-16(10-11)24-19(22)25-18(15)21/h1-8,13-15H,9-12H2,(H2,24,26,27);1-10,12H,11H2,(H2,25,27,28);2-10H,1H3,(H4,22,23,25,26);1-9H,(H4,22,23,25,26);1-10H,(H4,21,22,24,25)
InChIKeyLMNULFNHJUUTKG-UHFFFAOYSA-N
MW1838.82 g/mol
LogP21.12
Rot. Bonds13

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 159394529) has the molecular formula C102H79Cl2F5N24O2 and a molecular weight of 1838.82 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
PubChem CID159394529
Molecular FormulaC102H79Cl2F5N24O2
Molecular Weight1838.82 g/mol
Exact Mass1836.61
IUPAC Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3c(N)nc(N)nc3c2)ccc1F.Nc1nc(N)c2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.Nc1nc(N)c2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2n1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12
InChIInChI=1S/C23H21N5O.C21H15F3N4O.C20H16FN5.C19H13ClFN5.C19H14ClN5/c24-23-20-14-16(6-7-21(20)26-15-27-23)19-5-2-8-25-22(19)17-3-1-4-18(13-17)28-9-11-29-12-10-28;22-21(23,24)11-29-15-4-1-3-14(9-15)19-16(5-2-8-26-19)13-6-7-18-17(10-13)20(25)28-12-27-18;1-11-9-13(5-7-16(11)21)18-14(3-2-8-24-18)12-4-6-15-17(10-12)25-20(23)26-19(15)22;20-14-8-11(4-6-15(14)21)17-12(2-1-7-24-17)10-3-5-13-16(9-10)25-19(23)26-18(13)22;20-13-4-1-3-12(9-13)17-14(5-2-8-23-17)11-6-7-15-16(10-11)24-19(22)25-18(15)21/h1-8,13-15H,9-12H2,(H2,24,26,27);1-10,12H,11H2,(H2,25,27,28);2-10H,1H3,(H4,22,23,25,26);1-9H,(H4,22,23,25,26);1-10H,(H4,21,22,24,25)
InChIKeyLMNULFNHJUUTKG-UHFFFAOYSA-N
XLogP21.12
TPSA423.21 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.82
LogP ≤ 521.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 71663505
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
CID 127035117
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(2-morpholin-4-ylpyrimidin-4-yl)quinazolin-4-amine
CID 145974775
US20240383915, Example 95a
CID 172512954
US20240383915, Example 138
CID 172512998
US20240383915, Example 95b
CID 172513089
US20240383915, Example 137
CID 172513096
US20240383915, Example 126
CID 172513104
N-(3-chloro-4-fluorophenyl)-6-(2-morpholinoethoxy)-2-(pyridin-3-yl)quinazolin-4-amine
CID 67298318
N-(3-chloro-4-fluorophenyl)-6-(4-morpholin-4-ylbutoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 71180111
N-[(3-chloro-4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180683
N-(3-chloro-4-fluorophenyl)-6-(3-propan-2-yloxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181192

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (CID 159394529) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is Cc1cc(-c2ncccc2-c2ccc3c(N)nc(N)nc3c2)ccc1F.Nc1nc(N)c2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.Nc1nc(N)c2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2n1.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.
What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is LMNULFNHJUUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C21H15F3N4O.C20H16FN5.C19H13ClFN5.C19H14ClN5/c24-23-20-14-16(6-7-21(20)26-15-27-23)19-5-2-8-25-22(19)17-3-1-4-18(13-17)28-9-11-29-12-10-28;22-21(23,24)11-29-15-4-1-3-14(9-15)19-16(5-2-8-26-19)13-6-7-18-17(10-13)20(25)28-12-27-18;1-11-9-13(5-7-16(11)21)18-14(3-2-8-24-18)12-4-6-15-17(10-12)25-20(23)26-19(15)22;20-14-8-11(4-6-15(14)21)17-12(2-1-7-24-17)10-3-5-13-16(9-10)25-19(23)26-18(13)22;20-13-4-1-3-12(9-13)17-14(5-2-8-23-17)11-6-7-15-16(10-11)24-19(22)25-18(15)21/h1-8,13-15H,9-12H2,(H2,24,26,27);1-10,12H,11H2,(H2,25,27,28);2-10H,1H3,(H4,22,23,25,26);1-9H,(H4,22,23,25,26);1-10H,(H4,21,22,24,25).
What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 1838.82 g/mol, XLogP of 21.12, 13 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(3-chlorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 159394529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).