7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one

C19H18ClN3O — CID 150009980

IUPAC7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one
SMILESO=c1nc(N2CCCCC2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C19H18ClN3O/c20-14-9-10-16-17(13-14)23(15-7-3-1-4-8-15)19(24)21-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyDDBNBKVUTZCWCV-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.03
Rot. Bonds2

About 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one

7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one (PubChem CID 150009980) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one.

Molecular Properties

Compound Name7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one
PubChem CID150009980
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one
SMILESO=c1nc(N2CCCCC2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C19H18ClN3O/c20-14-9-10-16-17(13-14)23(15-7-3-1-4-8-15)19(24)21-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyDDBNBKVUTZCWCV-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
2-[[4-(2-Chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 14955545
3-[[4-(2-Chlorophenyl)piperazin-1-yl]methyl]-6-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 14955560
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-Chloro-4-(dimethylamino)quinazolin-2-ol
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
7-chloro-N-phenyl-1-[3-(1-piperidyl)propyl]quinolin-4-imine
CID 72703266
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
7-chloro-5-fluoro-4-(methylamino)-1-phenyl-quinazolin-2(1H)-one
CID 149637393
7-Chloro-4-(cyclopropylmethylamino)-1-(3-fluorophenyl)hydroquinazolin-2-one
CID 150174446

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one?
The IUPAC name of 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one (CID 150009980) is 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one.
What is the SMILES notation for 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one?
The canonical SMILES for 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one is O=c1nc(N2CCCCC2)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one?
The InChIKey is DDBNBKVUTZCWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-14-9-10-16-17(13-14)23(15-7-3-1-4-8-15)19(24)21-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one?
7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one has a molecular weight of 339.83 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-phenyl-4-piperidin-1-ylquinazolin-2-one is sourced from PubChem (CID 150009980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).