1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one

C19H17ClN2O — CID 157288859

IUPAC1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one
SMILESCc1cc(C2CC2)cc2c1c(C)nc(=O)n2-c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c1-11-9-14(13-7-8-13)10-17-18(11)12(2)21-19(23)22(17)16-6-4-3-5-15(16)20/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyBAOFDQFQDUDPEB-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.53
Rot. Bonds2

About 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one

1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one (PubChem CID 157288859) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one
PubChem CID157288859
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one
SMILESCc1cc(C2CC2)cc2c1c(C)nc(=O)n2-c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O/c1-11-9-14(13-7-8-13)10-17-18(11)12(2)21-19(23)22(17)16-6-4-3-5-15(16)20/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyBAOFDQFQDUDPEB-UHFFFAOYSA-N
XLogP4.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-cyclopropyl-5-methoxy-1-(2-methylphenyl)quinazolin-2-one
CID 150905726
1-(2-chlorophenyl)-7-cyclopropyl-4-pentylquinazolin-2-one
CID 158836321
6-chloro-1-(2-chlorophenyl)-7-cyclopropyl-4-[(3R)-3-hydroxybutyl]quinazolin-2-one
CID 157209085
4-[(2R)-2-aminobut-3-ynyl]-1-(2-chlorophenyl)-7-cyclopropylquinazolin-2-one
CID 175429137
1-(2-chlorophenyl)-6-methyl-4-(methylamino)thieno[3,2-d]pyrimidin-2-one
CID 175958943
4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one
CID 175971052
7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one
CID 151975239
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
1-(2-chlorophenyl)-6-ethyl-4-(2-ethylhydrazinyl)-1,3,5-triazin-2-one
CID 54005261
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
1-chloro-5-cyclopropyl-2,3-dimethylbenzene
CID 59813088
6-chloro-1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 150054326

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one (CID 157288859) is 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one is Cc1cc(C2CC2)cc2c1c(C)nc(=O)n2-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one?
The InChIKey is BAOFDQFQDUDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-11-9-14(13-7-8-13)10-17-18(11)12(2)21-19(23)22(17)16-6-4-3-5-15(16)20/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one?
1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one has a molecular weight of 324.81 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-7-cyclopropyl-4,5-dimethylquinazolin-2-one is sourced from PubChem (CID 157288859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).