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

C14H13ClN2O — CID 135404250

IUPAC2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CCCC2
InChIInChI=1S/C14H13ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h5-8H,1-4H2,(H,16,17,18)
InChIKeyUYHYTYOWXWRLAR-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.97
Rot. Bonds1

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

2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135404250) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135404250
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CCCC2
InChIInChI=1S/C14H13ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h5-8H,1-4H2,(H,16,17,18)
InChIKeyUYHYTYOWXWRLAR-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-(4-Chlorophenyl)quinazolin-4-ol
CID 135404247
2-(3-Chlorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 784327
3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 867917
3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-9-one
CID 650677
2-(4-chlorophenyl)-8-methyl-3H-quinazolin-4-one
CID 136215772
2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135753389
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
2-(4-(Trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135741330
2-(4-Chlorophenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741844
5-butyl-2-(4-chlorophenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135418965
9-chloro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135813745

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135404250) is 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CCCC2.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is UYHYTYOWXWRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h5-8H,1-4H2,(H,16,17,18).
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 260.72 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135404250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).