6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one

C125H93F2N21O8 — CID 159418331

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one
SMILESCC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3nc(N)ncc3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc4cccnc34)cc2c1=O
InChIInChI=1S/C23H16N4O.C22H18N4O2.C20H15FN4.C20H14FN3O.2C20H15N3O2/c1-27-14-26-20-10-9-16(13-19(20)23(27)28)17-8-4-12-25-22(17)18-7-2-5-15-6-3-11-24-21(15)18;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;1-12-9-14(4-6-17(12)21)19-16(3-2-8-23-19)13-5-7-18-15(10-13)11-24-20(22)25-18;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/h2-14H,1H3;3-13H,1-2H3,(H,25,27);2-11H,1H3,(H2,22,24,25);2-12H,1H3;2*2-12,24H,1H3
InChIKeyLPLGYFRRIUTRGJ-UHFFFAOYSA-N
MW2055.25 g/mol
LogP23.46
Rot. Bonds14

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one (PubChem CID 159418331) has the molecular formula C125H93F2N21O8 and a molecular weight of 2055.25 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one
PubChem CID159418331
Molecular FormulaC125H93F2N21O8
Molecular Weight2055.25 g/mol
Exact Mass2053.75
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one
SMILESCC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3nc(N)ncc3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc4cccnc34)cc2c1=O
InChIInChI=1S/C23H16N4O.C22H18N4O2.C20H15FN4.C20H14FN3O.2C20H15N3O2/c1-27-14-26-20-10-9-16(13-19(20)23(27)28)17-8-4-12-25-22(17)18-7-2-5-15-6-3-11-24-21(15)18;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;1-12-9-14(4-6-17(12)21)19-16(3-2-8-23-19)13-5-7-18-15(10-13)11-24-20(22)25-18;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/h2-14H,1H3;3-13H,1-2H3,(H,25,27);2-11H,1H3,(H2,22,24,25);2-12H,1H3;2*2-12,24H,1H3
InChIKeyLPLGYFRRIUTRGJ-UHFFFAOYSA-N
XLogP23.46
TPSA386.16 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002055.25
LogP ≤ 523.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

US10030016, Example 5.3
CID 68160590
US10030016, Example 5.6
CID 68160930
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
5-({3-(Aminocarbonyl)-7-[2,4-bis(methyloxy)-5-pyrimidinyl]-4-quinolinyl}amino)-4'-(trifluoromethyl)-3-biphenylcarboxylic acid
CID 57335252
4-[[6-[(E)-5-[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidin-5-yl]-5-oxopent-1-enyl]quinazolin-2-yl]methyl]-2-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 58567547
N-[3-(2-amino-7-methoxy-8-pyrimidin-5-ylquinazolin-6-yl)-4-methylphenyl]-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)benzamide
CID 66898916
N-[3-(2-amino-7-methoxy-8-pyridin-4-ylquinazolin-6-yl)-4-methylphenyl]-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)benzamide
CID 66899965
N-[3-(2-amino-7-methoxy-8-pyridin-3-ylquinazolin-6-yl)-4-methylphenyl]-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)benzamide
CID 66922063
6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268129
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 71274359

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one (CID 159418331) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one is CC(=O)Nc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.COc1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3nc(N)ncc3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)cc3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(O)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc4cccnc34)cc2c1=O.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one?
The InChIKey is LPLGYFRRIUTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O.C22H18N4O2.C20H15FN4.C20H14FN3O.2C20H15N3O2/c1-27-14-26-20-10-9-16(13-19(20)23(27)28)17-8-4-12-25-22(17)18-7-2-5-15-6-3-11-24-21(15)18;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;1-12-9-14(4-6-17(12)21)19-16(3-2-8-23-19)13-5-7-18-15(10-13)11-24-20(22)25-18;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/h2-14H,1H3;3-13H,1-2H3,(H,25,27);2-11H,1H3,(H2,22,24,25);2-12H,1H3;2*2-12,24H,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one has a molecular weight of 2055.25 g/mol, XLogP of 23.46, 14 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-2-amine;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;3-methyl-6-(2-quinolin-8-yl-3-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 159418331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).