2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

C12H11N3O2 — CID 2772368

IUPAC2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
InChIKeySOJUSNIBPPMLCC-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.56
Rot. Bonds1

About 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one

2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2772368) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2772368
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CC(c1ccco1)CC2=O
InChIInChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15)
InChIKeySOJUSNIBPPMLCC-UHFFFAOYSA-N
XLogP1.56
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 2886431
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
N-(7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylbenzamide
CID 663468
N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methoxybenzamide
CID 664032
N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-4-methoxybenzamide
CID 664252
N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]furan-2-carboxamide
CID 664377
4-chloro-N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
CID 664438
7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665400
2-[(4-fluorophenyl)amino]-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665489
2-[(4-ethylphenyl)amino]-7-(2-furyl)-7,8-dihydroquinazolin-5(6H)-one
CID 665816
N-[7-(2-furyl)-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl]benzamide
CID 2886839
N-{5-oxo-7-[4-(propan-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-yl}furan-2-carboxamide
CID 3365540

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 2772368) is 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is Nc1ncc2c(n1)CC(c1ccco1)CC2=O.
What is the InChIKey of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is SOJUSNIBPPMLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12-14-6-8-9(15-12)4-7(5-10(8)16)11-2-1-3-17-11/h1-3,6-7H,4-5H2,(H2,13,14,15).
What are the key properties of 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 229.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2772368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).