6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine

C98H65Cl4F3N16O4 — CID 158139147

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2c1=O.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12
InChIInChI=1S/C20H13ClFN3O.C20H14ClN3O.C20H15FN4.C19H11ClFN3O.C19H12ClN3O/c1-25-11-24-18-7-5-12(9-15(18)20(25)26)14-3-2-8-23-19(14)13-4-6-17(22)16(21)10-13;1-24-12-23-18-8-7-13(11-17(18)20(24)25)16-6-3-9-22-19(16)14-4-2-5-15(21)10-14;1-12-9-14(4-6-17(12)21)19-15(3-2-8-23-19)13-5-7-18-16(10-13)20(22)25-11-24-18;20-15-9-12(3-5-16(15)21)18-13(2-1-7-22-18)11-4-6-17-14(8-11)19(25)24-10-23-17;20-14-4-1-3-13(9-14)18-15(5-2-8-21-18)12-6-7-17-16(10-12)19(24)23-11-22-17/h2-11H,1H3;2-12H,1H3;2-11H,1H3,(H2,22,24,25);1-10H,(H,23,24,25);1-11H,(H,22,23,24)
InChIKeyFTSMTRXZZUIOQH-UHFFFAOYSA-N
MW1729.51 g/mol
LogP21.91
Rot. Bonds10

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 158139147) has the molecular formula C98H65Cl4F3N16O4 and a molecular weight of 1729.51 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID158139147
Molecular FormulaC98H65Cl4F3N16O4
Molecular Weight1729.51 g/mol
Exact Mass1726.41
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2c1=O.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12
InChIInChI=1S/C20H13ClFN3O.C20H14ClN3O.C20H15FN4.C19H11ClFN3O.C19H12ClN3O/c1-25-11-24-18-7-5-12(9-15(18)20(25)26)14-3-2-8-23-19(14)13-4-6-17(22)16(21)10-13;1-24-12-23-18-8-7-13(11-17(18)20(24)25)16-6-3-9-22-19(16)14-4-2-5-15(21)10-14;1-12-9-14(4-6-17(12)21)19-15(3-2-8-23-19)13-5-7-18-16(10-13)20(22)25-11-24-18;20-15-9-12(3-5-16(15)21)18-13(2-1-7-22-18)11-4-6-17-14(8-11)19(25)24-10-23-17;20-14-4-1-3-13(9-14)18-15(5-2-8-21-18)12-6-7-17-16(10-12)19(24)23-11-22-17/h2-11H,1H3;2-12H,1H3;2-11H,1H3,(H2,22,24,25);1-10H,(H,23,24,25);1-11H,(H,22,23,24)
InChIKeyFTSMTRXZZUIOQH-UHFFFAOYSA-N
XLogP21.91
TPSA277.53 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001729.51
LogP ≤ 521.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

6-chloro-N-[4-({[8-methyl-2-(methylamino)quinazolin-4-yl]amino}methyl)phenyl]nicotinamide
CID 25027105
6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818494
N-[4-({[7-(2-chloropyridin-3-yl)-2-(dimethylamino)quinazolin-4-yl]amino}methyl)phenyl]-4-fluorobenzamide
CID 25026310
6-chloro-N-[4-[[[2-(dimethylamino)-6-ethenylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25026714
US10030016, Example 6.1
CID 67086487
3-chloro-N-[4-methyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 71183554
4-(8-(3-acrylamidophenyl)quinazolin-6-yl)-3-chloro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 134264537
4-amino-N-(1-((3-chloro-2-fluorophenyl)amino)-6-methylisoquinolin-5-yl)pyrido[3,2-d]pyrimidine-8-carboxamide
CID 163272168
6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25024151
4-chloro-N-[4-({[2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-(trifluoromethyl)quinazolin-4-yl]amino}methyl)phenyl]benzamide
CID 68943951
6-chloro-N-[4-[(1S)-1-[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]ethyl]phenyl]pyridine-3-carboxamide
CID 87628953
6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 87629883

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine (CID 158139147) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine is Cc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2c1=O.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is FTSMTRXZZUIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O.C20H14ClN3O.C20H15FN4.C19H11ClFN3O.C19H12ClN3O/c1-25-11-24-18-7-5-12(9-15(18)20(25)26)14-3-2-8-23-19(14)13-4-6-17(22)16(21)10-13;1-24-12-23-18-8-7-13(11-17(18)20(24)25)16-6-3-9-22-19(16)14-4-2-5-15(21)10-14;1-12-9-14(4-6-17(12)21)19-15(3-2-8-23-19)13-5-7-18-16(10-13)20(22)25-11-24-18;20-15-9-12(3-5-16(15)21)18-13(2-1-7-22-18)11-4-6-17-14(8-11)19(25)24-10-23-17;20-14-4-1-3-13(9-14)18-15(5-2-8-21-18)12-6-7-17-16(10-12)19(24)23-11-22-17/h2-11H,1H3;2-12H,1H3;2-11H,1H3,(H2,22,24,25);1-10H,(H,23,24,25);1-11H,(H,22,23,24).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 1729.51 g/mol, XLogP of 21.91, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 158139147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).