2-(2-cyclopropylphenyl)-3H-quinazolin-4-one

C17H14N2O — CID 168551670

IUPAC2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2C2CC2)nc2ccccc12
InChIInChI=1S/C17H14N2O/c20-17-14-7-3-4-8-15(14)18-16(19-17)13-6-2-1-5-12(13)11-9-10-11/h1-8,11H,9-10H2,(H,18,19,20)
InChIKeyLDOFZZPISJVKOT-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.47
Rot. Bonds2

About 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one

2-(2-cyclopropylphenyl)-3H-quinazolin-4-one (PubChem CID 168551670) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
PubChem CID168551670
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccccc2C2CC2)nc2ccccc12
InChIInChI=1S/C17H14N2O/c20-17-14-7-3-4-8-15(14)18-16(19-17)13-6-2-1-5-12(13)11-9-10-11/h1-8,11H,9-10H2,(H,18,19,20)
InChIKeyLDOFZZPISJVKOT-UHFFFAOYSA-N
XLogP3.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one
CID 168553090
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-(1H-indol-4-yl)-3H-quinazolin-4-one
CID 168550804
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-(2-iodo-3-nitrophenyl)-3H-quinazolin-4-one
CID 168552944
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one (CID 168551670) is 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccccc2C2CC2)nc2ccccc12.
What is the InChIKey of 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one?
The InChIKey is LDOFZZPISJVKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-14-7-3-4-8-15(14)18-16(19-17)13-6-2-1-5-12(13)11-9-10-11/h1-8,11H,9-10H2,(H,18,19,20).
What are the key properties of 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one?
2-(2-cyclopropylphenyl)-3H-quinazolin-4-one has a molecular weight of 262.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168551670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).