6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione

C12H7ClN2O3 — CID 117261282

IUPAC6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Cl)cc2c(=O)n1-c1ccco1
InChIInChI=1S/C12H7ClN2O3/c13-7-3-4-9-8(6-7)11(16)15(12(17)14-9)10-2-1-5-18-10/h1-6H,(H,14,17)
InChIKeyJFQQTPWQNVWWRL-UHFFFAOYSA-N
MW262.65 g/mol
LogP1.93
Rot. Bonds1

About 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione

6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261282) has the molecular formula C12H7ClN2O3 and a molecular weight of 262.65 g/mol. Its IUPAC name is 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
PubChem CID117261282
Molecular FormulaC12H7ClN2O3
Molecular Weight262.65 g/mol
Exact Mass262.01
IUPAC Name6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(Cl)cc2c(=O)n1-c1ccco1
InChIInChI=1S/C12H7ClN2O3/c13-7-3-4-9-8(6-7)11(16)15(12(17)14-9)10-2-1-5-18-10/h1-6H,(H,14,17)
InChIKeyJFQQTPWQNVWWRL-UHFFFAOYSA-N
XLogP1.93
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-fluoro-3-(furan-2-yl)-1H-quinazoline-2,4-dione
CID 117261551
8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione
CID 117261841
6-chloro-3-cyclobutyl-1H-quinazoline-2,4-dione
CID 117261427
3-(furan-2-yl)-8-methyl-1H-quinazoline-2,4-dione
CID 117261833
3-(5-chlorofuran-2-yl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261298
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
CID 1344529
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
6-chloro-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261256
6-chloro-3-(2,4-difluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4829978
5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 117208349
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione (CID 117261282) is 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(Cl)cc2c(=O)n1-c1ccco1.
What is the InChIKey of 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is JFQQTPWQNVWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3/c13-7-3-4-9-8(6-7)11(16)15(12(17)14-9)10-2-1-5-18-10/h1-6H,(H,14,17).
What are the key properties of 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 262.65 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(furan-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).