2-cyclopropyl-6-methoxy-3H-quinazolin-4-one

C12H12N2O2 — CID 136947945

IUPAC2-cyclopropyl-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(C3CC3)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N2O2/c1-16-8-4-5-10-9(6-8)12(15)14-11(13-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyKQDUOFFTDATPNE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.81
Rot. Bonds2

About 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one

2-cyclopropyl-6-methoxy-3H-quinazolin-4-one (PubChem CID 136947945) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-methoxy-3H-quinazolin-4-one
PubChem CID136947945
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-cyclopropyl-6-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2nc(C3CC3)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N2O2/c1-16-8-4-5-10-9(6-8)12(15)14-11(13-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyKQDUOFFTDATPNE-UHFFFAOYSA-N
XLogP1.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566972
2-phenoxymethyl-3H-quinazolin-4-one
CID 135416161
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
2-(4-methoxyanilino)-4(3H)-quinazolinone
CID 135444387
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
6-Methoxy-2-methylquinazolin-4-ol
CID 135449497
2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135681131

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one (CID 136947945) is 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one is COc1ccc2nc(C3CC3)[nH]c(=O)c2c1.
What is the InChIKey of 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one?
The InChIKey is KQDUOFFTDATPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-8-4-5-10-9(6-8)12(15)14-11(13-10)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one?
2-cyclopropyl-6-methoxy-3H-quinazolin-4-one has a molecular weight of 216.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136947945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).