4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C19H15ClFN3O — CID 25030750

IUPAC4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1ccccn1)N2
InChIInChI=1S/C19H15ClFN3O/c20-13-10-11(21)7-8-12(13)18-17-14(5-3-6-16(17)25)23-19(24-18)15-4-1-2-9-22-15/h1-2,4,7-10,18H,3,5-6H2,(H,23,24)
InChIKeyCSOLODHFEJQXOG-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.97
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 25030750) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID25030750
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1ccccn1)N2
InChIInChI=1S/C19H15ClFN3O/c20-13-10-11(21)7-8-12(13)18-17-14(5-3-6-16(17)25)23-19(24-18)15-4-1-2-9-22-15/h1-2,4,7-10,18H,3,5-6H2,(H,23,24)
InChIKeyCSOLODHFEJQXOG-UHFFFAOYSA-N
XLogP3.97
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

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-bromo-5-[6-(2-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529667
3-chloro-5-[6-(3-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529836
3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529837
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 25030750) is 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1ccc(F)cc1Cl)N=C(c1ccccn1)N2.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is CSOLODHFEJQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-13-10-11(21)7-8-12(13)18-17-14(5-3-6-16(17)25)23-19(24-18)15-4-1-2-9-22-15/h1-2,4,7-10,18H,3,5-6H2,(H,23,24).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(2-chloro-4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 355.80 g/mol, XLogP of 3.97, 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-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 25030750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).