3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C20H20N2O4 — CID 110325623

IUPAC3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C20H20N2O4/c1-25-16-10-15(11-17(12-16)26-2)19(23)21-8-7-14-9-13-5-3-4-6-18(13)22-20(14)24/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTXSQTCYQCIXCKG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.52
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide

3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 110325623) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID110325623
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C20H20N2O4/c1-25-16-10-15(11-17(12-16)26-2)19(23)21-8-7-14-9-13-5-3-4-6-18(13)22-20(14)24/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTXSQTCYQCIXCKG-UHFFFAOYSA-N
XLogP2.52
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 110325649
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326044
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 5050311
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 110325623) is 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is TXSQTCYQCIXCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-16-10-15(11-17(12-16)26-2)19(23)21-8-7-14-9-13-5-3-4-6-18(13)22-20(14)24/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 110325623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).