2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one

C18H12ClN2O3- — CID 4744926

IUPAC2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3cccc(Cl)c3)o2)N1[O-]
InChIInChI=1S/C18H12ClN2O3/c19-12-5-3-4-11(10-12)15-8-9-16(24-15)17-20-14-7-2-1-6-13(14)18(22)21(17)23/h1-10,17,20H/q-1
InChIKeyOGQQASRCZCVRFM-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.66
Rot. Bonds2

About 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one

2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one (PubChem CID 4744926) has the molecular formula C18H12ClN2O3- and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
PubChem CID4744926
Molecular FormulaC18H12ClN2O3-
Molecular Weight339.76 g/mol
Exact Mass339.05
IUPAC Name2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3cccc(Cl)c3)o2)N1[O-]
InChIInChI=1S/C18H12ClN2O3/c19-12-5-3-4-11(10-12)15-8-9-16(24-15)17-20-14-7-2-1-6-13(14)18(22)21(17)23/h1-10,17,20H/q-1
InChIKeyOGQQASRCZCVRFM-UHFFFAOYSA-N
XLogP4.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[5-(3-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997738
(2R)-2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012114
3-(2-propan-2-ylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 4919242
(2R)-3-cyclopropyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 25340350
3-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 51114892
2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4032556
(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 2243734
(2R)-3-methyl-2-(5-methylfuran-2-yl)-1,2-dihydroquinazolin-4-one
CID 51466277
(6S)-6-[5-(3-chlorophenyl)furan-2-yl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 6402386
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997735
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 4744964

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one (CID 4744926) is 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(-c3cccc(Cl)c3)o2)N1[O-].
What is the InChIKey of 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one?
The InChIKey is OGQQASRCZCVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN2O3/c19-12-5-3-4-11(10-12)15-8-9-16(24-15)17-20-14-7-2-1-6-13(14)18(22)21(17)23/h1-10,17,20H/q-1.
What are the key properties of 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one?
2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one has a molecular weight of 339.76 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4744926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).