2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one

C19H18N2O — CID 136503291

IUPAC2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one
SMILESCc1ccc(C2CC2c2nc3ccccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C19H18N2O/c1-11-7-8-13(9-12(11)2)15-10-16(15)18-20-17-6-4-3-5-14(17)19(22)21-18/h3-9,15-16H,10H2,1-2H3,(H,20,21,22)
InChIKeyBGLGIPLSJDHSRW-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.81
Rot. Bonds2

About 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one

2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one (PubChem CID 136503291) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one
PubChem CID136503291
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one
SMILESCc1ccc(C2CC2c2nc3ccccc3c(=O)[nH]2)cc1C
InChIInChI=1S/C19H18N2O/c1-11-7-8-13(9-12(11)2)15-10-16(15)18-20-17-6-4-3-5-14(17)19(22)21-18/h3-9,15-16H,10H2,1-2H3,(H,20,21,22)
InChIKeyBGLGIPLSJDHSRW-UHFFFAOYSA-N
XLogP3.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,5R)-5-hydroxypiperidin-3-yl]-3H-quinazolin-4-one
CID 137230518
2,2-dimethyl-3-(4-oxo-3H-quinazolin-2-yl)cyclopropane-1-carboxylic acid
CID 135636624
N-tert-butyl-2-(4-oxo-3H-quinazolin-2-yl)cyclohexane-1-carboxamide
CID 135539284
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
2-[(Z)-2-(2,5-dimethylphenyl)ethenyl]-3H-quinazolin-4-one
CID 136861073
2-(4-ethoxy-3,5-dimethylphenyl)-3H-quinazolin-4-one
CID 168551010
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
ethyl 5-methyl-2-(4-oxo-3H-quinazolin-2-yl)-2,3-dihydrofuran-4-carboxylate
CID 136903474
2-[[2,2-dimethyl-3-[(4-oxo-3H-quinazolin-2-yl)methyl]cyclobutyl]methyl]-3H-quinazolin-4-one
CID 137187410
2-(2-methyl-3-sulfanylbutan-2-yl)-3H-quinazolin-4-one
CID 137277379

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one (CID 136503291) is 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one is Cc1ccc(C2CC2c2nc3ccccc3c(=O)[nH]2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one?
The InChIKey is BGLGIPLSJDHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-11-7-8-13(9-12(11)2)15-10-16(15)18-20-17-6-4-3-5-14(17)19(22)21-18/h3-9,15-16H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one?
2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one has a molecular weight of 290.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)cyclopropyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136503291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).