3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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

C96H63F9N20O2 — CID 158290913

IUPAC3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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
SMILESNc1ncnc2ccc(-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/C20H13F3N4O.3C19H12F2N4.C19H14N4O/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;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/h1-11H,(H2,24,26,27);3*1-10H,(H2,22,24,25);1-11,24H,(H2,20,22,23)
InChIKeyGLINYONCOMGMIN-UHFFFAOYSA-N
MW1699.68 g/mol
LogP21.14
Rot. Bonds11

About 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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;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 158290913) has the molecular formula C96H63F9N20O2 and a molecular weight of 1699.68 g/mol. Its IUPAC name is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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;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 CID158290913
Molecular FormulaC96H63F9N20O2
Molecular Weight1699.68 g/mol
Exact Mass1698.53
IUPAC Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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
SMILESNc1ncnc2ccc(-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/C20H13F3N4O.3C19H12F2N4.C19H14N4O/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;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/h1-11H,(H2,24,26,27);3*1-10H,(H2,22,24,25);1-11,24H,(H2,20,22,23)
InChIKeyGLINYONCOMGMIN-UHFFFAOYSA-N
XLogP21.14
TPSA352.91 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001699.68
LogP ≤ 521.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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

6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3235086
N-[4-[3-(difluoromethoxy)phenyl]-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789666
N-[3-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789686
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
5-[6-(Trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine
CID 22326794
2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
CID 53372323
N-(5-(4-(difluoromethoxy)phenyl)-2-morpholinopyrimidin-4-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 56591564
5-[4-(3,4-Dimethoxyphenyl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 66616273
N-methyl-6-(6-methyl-1-(3-(trifluoromethyl)phenoxy)isoquinolin-5-yl)quinazolin-2-amine
CID 67339102
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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;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 158290913) is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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;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;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 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;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 GLINYONCOMGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O.3C19H12F2N4.C19H14N4O/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;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/h1-11H,(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;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;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 1699.68 g/mol, XLogP of 21.14, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]phenol;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 158290913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).