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

C13H13N3O2 — CID 664916

IUPAC2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(NCc3ccco3)ncc21
InChIInChI=1S/C13H13N3O2/c17-12-5-1-4-11-10(12)8-15-13(16-11)14-7-9-3-2-6-18-9/h2-3,6,8H,1,4-5,7H2,(H,14,15,16)
InChIKeyFRYQDNQBHLNDPL-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.20
Rot. Bonds3

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

2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 664916) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID664916
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(NCc3ccco3)ncc21
InChIInChI=1S/C13H13N3O2/c17-12-5-1-4-11-10(12)8-15-13(16-11)14-7-9-3-2-6-18-9/h2-3,6,8H,1,4-5,7H2,(H,14,15,16)
InChIKeyFRYQDNQBHLNDPL-UHFFFAOYSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nky80
CID 2772368
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 2886431
2-chloro-N-(furan-2-ylmethyl)quinazolin-4-amine
CID 1599048
7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 46880424
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
N-(7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-4-methylbenzamide
CID 663468
N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]furan-2-carboxamide
CID 664377
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

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one (CID 664916) is 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(NCc3ccco3)ncc21.
What is the InChIKey of 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FRYQDNQBHLNDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12-5-1-4-11-10(12)8-15-13(16-11)14-7-9-3-2-6-18-9/h2-3,6,8H,1,4-5,7H2,(H,14,15,16).
What are the key properties of 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one?
2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 243.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 664916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).