6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one

C15H12ClNO3 — CID 118724924

IUPAC6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccoc3)c(=O)c2cc1Cl
InChIInChI=1S/C15H12ClNO3/c1-8-14(9-3-4-20-7-9)15(18)10-5-11(16)13(19-2)6-12(10)17-8/h3-7H,1-2H3,(H,17,18)
InChIKeyXHAWOOVVRSLTDB-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.76
Rot. Bonds2

About 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one

6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 118724924) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID118724924
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(C)c(-c3ccoc3)c(=O)c2cc1Cl
InChIInChI=1S/C15H12ClNO3/c1-8-14(9-3-4-20-7-9)15(18)10-5-11(16)13(19-2)6-12(10)17-8/h3-7H,1-2H3,(H,17,18)
InChIKeyXHAWOOVVRSLTDB-UHFFFAOYSA-N
XLogP3.76
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one (CID 118724924) is 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one is COc1cc2[nH]c(C)c(-c3ccoc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is XHAWOOVVRSLTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-8-14(9-3-4-20-7-9)15(18)10-5-11(16)13(19-2)6-12(10)17-8/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one?
6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 289.72 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 118724924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).