3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

C117H80F9N25O3 — CID 159594783

IUPAC3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)cc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C21H17N5O.C20H13F3N4O.3C19H12F2N4.C19H14N4O/c1-13(27)26-16-5-2-4-15(10-16)20-17(6-3-9-23-20)14-7-8-19-18(11-14)21(22)25-12-24-19;21-20(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;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;20-12-4-5-14(16(21)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;20-19-16-10-12(6-7-17(16)22-11-23-19)15-5-2-8-21-18(15)13-3-1-4-14(24)9-13/h2-12H,1H3,(H,26,27)(H2,22,24,25);1-11H,(H2,24,26,27);3*1-10H,(H2,22,24,25);1-11,24H,(H2,20,22,23)
InChIKeyMKRSWTJIBMQXJJ-UHFFFAOYSA-N
MW2055.08 g/mol
LogP25.04
Rot. Bonds14

About 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine

3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 159594783) has the molecular formula C117H80F9N25O3 and a molecular weight of 2055.08 g/mol. Its IUPAC name is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
PubChem CID159594783
Molecular FormulaC117H80F9N25O3
Molecular Weight2055.08 g/mol
Exact Mass2053.67
IUPAC Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
SMILESCC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)cc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C21H17N5O.C20H13F3N4O.3C19H12F2N4.C19H14N4O/c1-13(27)26-16-5-2-4-15(10-16)20-17(6-3-9-23-20)14-7-8-19-18(11-14)21(22)25-12-24-19;21-20(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;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;20-12-4-5-14(16(21)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;20-19-16-10-12(6-7-17(16)22-11-23-19)15-5-2-8-21-18(15)13-3-1-4-14(24)9-13/h2-12H,1H3,(H,26,27)(H2,22,24,25);1-11H,(H2,24,26,27);3*1-10H,(H2,22,24,25);1-11,24H,(H2,20,22,23)
InChIKeyMKRSWTJIBMQXJJ-UHFFFAOYSA-N
XLogP25.04
TPSA446.70 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.08
LogP ≤ 525.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

N-(3-(6-(3-fluoro-4-(pyridin-2-yloxy)phenyl) quinazolin-8-yl)phenyl)acrylamide
CID 134264800
N-(3-(6-(6-(3-fluorophenoxy)pyridin-3-yl)quinazolin-8-yl)phenyl)acrylamide
CID 134264823
N-(3-(6-(2-fluoro-4-((3-fluoropyridin-2-yl)oxy)phenyl)quinazolin-8-yl)phenyl)acrylamide
CID 134264873
N-(3-(2-amino-6-(3-fluoro-4-(pyridin-2-yloxy)phenyl)quinazolin-8-yl)phenyl)acrylamide
CID 134265044
N-(3-(6-(4-((4-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)quinazolin-8-yl)phenyl)acrylamide
CID 134265050
N-(3-(5-amino-6-(2-fluoro-4-((4-(trifluoromethyl)pyridin-2-yl)oxy)phenyl) quinazolin-8-yl)phenyl)acrylamide
CID 134265247
N-(3-(6-(2-fluoro-4-(pyridin-2-yloxy)phenyl) quinazolin-8-yl)phenyl)acrylamide
CID 134265341
N-(3-(2-amino-6-(2-fluoro-4-(pyridin-2-yloxy)phenyl)quinazolin-8-yl)phenyl)acrylamide
CID 134265414
N-(3-(5-amino-6-(4-((4-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)quinazolin-8-yl)phenyl)acrylamide
CID 134265427
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-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-quinolin-6-ylpyrimidine-2,4-diamine
CID 12114243

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine (CID 159594783) is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is CC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)ccc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(F)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)cc3F)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Nc1ncnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12.
What is the InChIKey of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is MKRSWTJIBMQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O.C20H13F3N4O.3C19H12F2N4.C19H14N4O/c1-13(27)26-16-5-2-4-15(10-16)20-17(6-3-9-23-20)14-7-8-19-18(11-14)21(22)25-12-24-19;21-20(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;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;20-12-4-5-14(16(21)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;20-19-16-10-12(6-7-17(16)22-11-23-19)15-5-2-8-21-18(15)13-3-1-4-14(24)9-13/h2-12H,1H3,(H,26,27)(H2,22,24,25);1-11H,(H2,24,26,27);3*1-10H,(H2,22,24,25);1-11,24H,(H2,20,22,23).
What are the key properties of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine?
3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 2055.08 g/mol, XLogP of 25.04, 14 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 159594783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).