4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C19H14ClF2N3O — CID 25030747

IUPAC4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1ncccc1F)N2
InChIInChI=1S/C19H14ClF2N3O/c20-12-9-10(21)6-7-11(12)17-16-14(4-1-5-15(16)26)24-19(25-17)18-13(22)3-2-8-23-18/h2-3,6-9,17H,1,4-5H2,(H,24,25)
InChIKeyGSYAOZUIRKGEJE-UHFFFAOYSA-N
MW373.79 g/mol
LogP4.11
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 25030747) has the molecular formula C19H14ClF2N3O and a molecular weight of 373.79 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID25030747
Molecular FormulaC19H14ClF2N3O
Molecular Weight373.79 g/mol
Exact Mass373.08
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1ncccc1F)N2
InChIInChI=1S/C19H14ClF2N3O/c20-12-9-10(21)6-7-11(12)17-16-14(4-1-5-15(16)26)24-19(25-17)18-13(22)3-2-8-23-18/h2-3,6-9,17H,1,4-5H2,(H,24,25)
InChIKeyGSYAOZUIRKGEJE-UHFFFAOYSA-N
XLogP4.11
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one with MolForge

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Related Compounds

5-Pyrimidinecarboxylic acid, 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-1,4-dihydro-6-methyl-, methyl ester, (4R)-
CID 489221
Ethyl 4-(2-chloro-4-fluorophenyl)-2-(3-fluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 9930383
2-(pyridin-3-yl)-4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazolin-5(1H)-one
CID 25030295
3-chloro-5-[6-(2-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529366
3-chloro-5-[6-(2-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529840
3-chloro-5-[6-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-3-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 57808466
3-chloro-5-[6-(4-fluorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 57808498
ethyl (4S)-4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 101228472
methyl (4S)-4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 76318027
5-[(2,6-dichlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135448155
Bay 41-4109 less active enantiomer
CID 10188768
2-(Pyridin-2-yl)-4-phenyl-4,6,7,8-tetrahydroquinazolin-5(1h)-one
CID 25027298

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 25030747) is 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1ncccc1F)N2.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is GSYAOZUIRKGEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O/c20-12-9-10(21)6-7-11(12)17-16-14(4-1-5-15(16)26)24-19(25-17)18-13(22)3-2-8-23-18/h2-3,6-9,17H,1,4-5H2,(H,24,25).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 373.79 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-(3-fluoro-2-pyridinyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 25030747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).