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

C21H22N2O4 — CID 110326114

IUPACN-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccc(C)cc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-4-6-14(7-5-13)20(24)22-9-8-15-10-16-11-18(26-2)19(27-3)12-17(16)23-21(15)25/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNYHKDYMIUVCSLN-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds6

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

N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide (PubChem CID 110326114) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
PubChem CID110326114
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccc(C)cc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-4-6-14(7-5-13)20(24)22-9-8-15-10-16-11-18(26-2)19(27-3)12-17(16)23-21(15)25/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyNYHKDYMIUVCSLN-UHFFFAOYSA-N
XLogP2.83
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662798
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562
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 N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide (CID 110326114) is N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide is COc1cc2cc(CCNC(=O)c3ccc(C)cc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide?
The InChIKey is NYHKDYMIUVCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-4-6-14(7-5-13)20(24)22-9-8-15-10-16-11-18(26-2)19(27-3)12-17(16)23-21(15)25/h4-7,10-12H,8-9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide?
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 110326114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).