6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide

C105H81FN16O8 — CID 160970907

IUPAC6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O
InChIInChI=1S/C23H19N3O.C22H18N4O2.C20H14FN3O.2C20H15N3O2/c1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-14(27)25-17-6-3-5-16(11-17)21-18(7-4-10-23-21)15-8-9-20-19(12-15)22(28)26(2)13-24-20;1-24-12-23-18-9-6-14(11-17(18)20(24)25)16-3-2-10-22-19(16)13-4-7-15(21)8-5-13;1-25-20-17-11-13(7-8-18(17)22-12-23-20)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14;1-23-12-22-18-8-7-13(11-17(18)20(23)25)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14/h2-6,9-15H,7-8H2,1H3;3-13H,1-2H3,(H,25,27);2-12H,1H3;2*2-12,24H,1H3
InChIKeySYFVNTNLSOOKDL-UHFFFAOYSA-N
MW1713.90 g/mol
LogP20.11
Rot. Bonds14

About 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide (PubChem CID 160970907) has the molecular formula C105H81FN16O8 and a molecular weight of 1713.90 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide
PubChem CID160970907
Molecular FormulaC105H81FN16O8
Molecular Weight1713.90 g/mol
Exact Mass1712.64
IUPAC Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O
InChIInChI=1S/C23H19N3O.C22H18N4O2.C20H14FN3O.2C20H15N3O2/c1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-14(27)25-17-6-3-5-16(11-17)21-18(7-4-10-23-21)15-8-9-20-19(12-15)22(28)26(2)13-24-20;1-24-12-23-18-9-6-14(11-17(18)20(24)25)16-3-2-10-22-19(16)13-4-7-15(21)8-5-13;1-25-20-17-11-13(7-8-18(17)22-12-23-20)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14;1-23-12-22-18-8-7-13(11-17(18)20(23)25)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14/h2-6,9-15H,7-8H2,1H3;3-13H,1-2H3,(H,25,27);2-12H,1H3;2*2-12,24H,1H3
InChIKeySYFVNTNLSOOKDL-UHFFFAOYSA-N
XLogP20.11
TPSA308.70 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001713.90
LogP ≤ 520.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

US10030016, Example 5.5
CID 68161263
N-[3-(2-amino-7-methoxy-8-pyridin-4-ylquinazolin-6-yl)-4-methylphenyl]-2-piperidin-1-yl-5-(trifluoromethyl)benzamide
CID 44467580
3-({3-(Aminocarbonyl)-7-[2,4-bis(methyloxy)-5-pyrimidinyl]-4-quinolinyl}amino)-5-[2-(methyloxy)-6-(trifluoromethyl)-4-pyridinyl]benzoic acid
CID 57335250
N-[3-(2-amino-7-methoxy-8-pyridin-3-ylquinazolin-6-yl)-4-methylphenyl]-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)benzamide
CID 66922063
N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[2-[[5-[(2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl]-4-[(2-fluoro-2-methylpropyl)amino]-2-pyridinyl]-quinolin-6-ylamino]cyclopropyl]amino]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
CID 123201125
2-[3-[[2-Amino-5-(4-fluoro-3-hydroxyphenyl)pyrimidin-4-yl]amino]-3-methylpentan-2-yl]-5-(2-methoxy-4-pyridinyl)-3-phenylquinazolin-4-one
CID 123721096
N-[3-(1,1-difluoropropyl)-4-hydroxyphenyl]-4-fluoro-3-[(6-piperidin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]benzamide;4-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]-3-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]benzamide
CID 143951857
2-[[3-[4-(cyclopropylmethyl)quinazolin-6-yl]-5-propan-2-yloxyphenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 157115260
6-[2-(1-adamantyl)-2-oxoethyl]-N-hydroxy-8-methyl-4-(trifluoromethyl)quinoline-3-carboxamide;6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-4-(trifluoromethyl)quinoline-3-carboxamide;6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-N-hydroxy-4-(trifluoromethyl)quinoline-3-carboxamide;6-[3-[2-(dimethylamino)ethoxy]phenyl]-N-hydroxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6-pyridin-4-yloxy-4-(trifluoromethyl)quinoline-3-carboxamide;N-hydroxy-6-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)quinoline-3-carboxamide
CID 157453507
deuterioethane;3-[6-[(3S,5R)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 158867686
6-(2-hydroxyethylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158977972
1-[4-[4-[2-(4-Acetylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 159153291

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide (CID 160970907) is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide?
The InChIKey is SYFVNTNLSOOKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O.C22H18N4O2.C20H14FN3O.2C20H15N3O2/c1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;1-14(27)25-17-6-3-5-16(11-17)21-18(7-4-10-23-21)15-8-9-20-19(12-15)22(28)26(2)13-24-20;1-24-12-23-18-9-6-14(11-17(18)20(24)25)16-3-2-10-22-19(16)13-4-7-15(21)8-5-13;1-25-20-17-11-13(7-8-18(17)22-12-23-20)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14;1-23-12-22-18-8-7-13(11-17(18)20(23)25)16-6-3-9-21-19(16)14-4-2-5-15(24)10-14/h2-6,9-15H,7-8H2,1H3;3-13H,1-2H3,(H,25,27);2-12H,1H3;2*2-12,24H,1H3.
What are the key properties of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide?
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide has a molecular weight of 1713.90 g/mol, XLogP of 20.11, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline;6-[2-(4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-hydroxyphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-[3-(4-methoxyquinazolin-6-yl)-2-pyridinyl]phenol;N-[3-[3-(3-methyl-4-oxoquinazolin-6-yl)-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 160970907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).