7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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

C106H85ClF5N23O3 — CID 157416471

IUPAC7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC4CC4)c3)cc12
InChIInChI=1S/C23H21N5O.C23H20N4O.C21H15F3N4O.C20H16FN5.C19H13ClFN5/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;24-23-20-12-16(8-9-21(20)26-14-27-23)19-5-2-10-25-22(19)17-3-1-4-18(11-17)28-13-15-6-7-15;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/h1-8,13-15H,9-12H2,(H2,24,26,27);1-5,8-12,14-15H,6-7,13H2,(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)
InChIKeyBOXDQTVLXUUZER-UHFFFAOYSA-N
MW1859.45 g/mol
LogP21.68
Rot. Bonds16

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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 157416471) has the molecular formula C106H85ClF5N23O3 and a molecular weight of 1859.45 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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 CID157416471
Molecular FormulaC106H85ClF5N23O3
Molecular Weight1859.45 g/mol
Exact Mass1857.68
IUPAC Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC4CC4)c3)cc12
InChIInChI=1S/C23H21N5O.C23H20N4O.C21H15F3N4O.C20H16FN5.C19H13ClFN5/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;24-23-20-12-16(8-9-21(20)26-14-27-23)19-5-2-10-25-22(19)17-3-1-4-18(11-17)28-13-15-6-7-15;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/h1-8,13-15H,9-12H2,(H2,24,26,27);1-5,8-12,14-15H,6-7,13H2,(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)
InChIKeyBOXDQTVLXUUZER-UHFFFAOYSA-N
XLogP21.68
TPSA406.42 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001859.45
LogP ≤ 521.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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 157416471) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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.Nc1ncnc2ccc(-c3cccnc3-c3cccc(N4CCOCC4)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC(F)(F)F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OCC4CC4)c3)cc12.
What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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 BOXDQTVLXUUZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C23H20N4O.C21H15F3N4O.C20H16FN5.C19H13ClFN5/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;24-23-20-12-16(8-9-21(20)26-14-27-23)19-5-2-10-25-22(19)17-3-1-4-18(11-17)28-13-15-6-7-15;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/h1-8,13-15H,9-12H2,(H2,24,26,27);1-5,8-12,14-15H,6-7,13H2,(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).
What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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 1859.45 g/mol, XLogP of 21.68, 16 rotatable bonds, 7 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;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;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 157416471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).