1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one

C15H13ClN2O — CID 141040925

IUPAC1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2ccccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-17-15(18)19/h1-8H,9-10H2,(H,17,19)
InChIKeyFAZRPAQEMWKKEH-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.57
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one

1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one (PubChem CID 141040925) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
PubChem CID141040925
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2ccccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-17-15(18)19/h1-8H,9-10H2,(H,17,19)
InChIKeyFAZRPAQEMWKKEH-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
1-[(3-chlorophenyl)methyl]-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one
CID 11428267
1-benzyl-6-nitro-3,4-dihydroquinazolin-2-one
CID 170748618
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
1-benzyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one
CID 12000846
4-[(3-chlorophenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 11837222
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 15993697

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one (CID 141040925) is 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one is O=C1NCc2ccccc2N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one?
The InChIKey is FAZRPAQEMWKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-17-15(18)19/h1-8H,9-10H2,(H,17,19).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one?
1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one has a molecular weight of 272.74 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 141040925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).