4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C20H19ClN2O4 — CID 110326133

IUPAC4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-26-17-10-14-9-13(20(25)23-16(14)11-18(17)27-2)7-8-22-19(24)12-3-5-15(21)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLCEFDUOASSZYRS-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.17
Rot. Bonds6

About 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 110326133) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID110326133
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C20H19ClN2O4/c1-26-17-10-14-9-13(20(25)23-16(14)11-18(17)27-2)7-8-22-19(24)12-3-5-15(21)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLCEFDUOASSZYRS-UHFFFAOYSA-N
XLogP3.17
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
1-tert-butyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110662896
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110415585
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 110326133) is 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is COc1cc2cc(CCNC(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is LCEFDUOASSZYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-26-17-10-14-9-13(20(25)23-16(14)11-18(17)27-2)7-8-22-19(24)12-3-5-15(21)6-4-12/h3-6,9-11H,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 386.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 110326133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).