2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H15ClN2O — CID 135850609

IUPAC2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccccc2Cl)nc2c1CCCC2
InChIInChI=1S/C15H15ClN2O/c16-12-7-3-1-5-10(12)9-14-17-13-8-4-2-6-11(13)15(19)18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19)
InChIKeySJFUZNXRJFGTMR-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.89
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135850609) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135850609
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cc2ccccc2Cl)nc2c1CCCC2
InChIInChI=1S/C15H15ClN2O/c16-12-7-3-1-5-10(12)9-14-17-13-8-4-2-6-11(13)15(19)18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19)
InChIKeySJFUZNXRJFGTMR-UHFFFAOYSA-N
XLogP2.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975205
2-[(3,4-dimethylphenyl)methyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975262
5-bromo-2-[(2-chlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284950
2-[(3-chloro-2-fluorophenyl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941243
2-[(2-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941477
2-[(2-chloro-4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941470
2-[2-(methylamino)ethyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975333
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115066207
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
2-(3-chloro-2-fluoroanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136741513
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
2-[(2-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 46263249

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135850609) is 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(Cc2ccccc2Cl)nc2c1CCCC2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is SJFUZNXRJFGTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-12-7-3-1-5-10(12)9-14-17-13-8-4-2-6-11(13)15(19)18-14/h1,3,5,7H,2,4,6,8-9H2,(H,17,18,19).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 274.75 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135850609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).