2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one

C17H14N2O2 — CID 168553146

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc3c(c2)CCCO3)nc2ccccc12
InChIInChI=1S/C17H14N2O2/c20-17-13-5-1-2-6-14(13)18-16(19-17)12-7-8-15-11(10-12)4-3-9-21-15/h1-2,5-8,10H,3-4,9H2,(H,18,19,20)
InChIKeyQHERJHKEIAEVSJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.92
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one

2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one (PubChem CID 168553146) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one
PubChem CID168553146
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc3c(c2)CCCO3)nc2ccccc12
InChIInChI=1S/C17H14N2O2/c20-17-13-5-1-2-6-14(13)18-16(19-17)12-7-8-15-11(10-12)4-3-9-21-15/h1-2,5-8,10H,3-4,9H2,(H,18,19,20)
InChIKeyQHERJHKEIAEVSJ-UHFFFAOYSA-N
XLogP2.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one
CID 168553019
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-hydroxy-5-(4-oxo-3H-quinazolin-2-yl)benzamide
CID 168552834
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3H-quinazolin-4-one
CID 135413659
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one (CID 168553146) is 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc3c(c2)CCCO3)nc2ccccc12.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one?
The InChIKey is QHERJHKEIAEVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17-13-5-1-2-6-14(13)18-16(19-17)12-7-8-15-11(10-12)4-3-9-21-15/h1-2,5-8,10H,3-4,9H2,(H,18,19,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one?
2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).