N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide

C21H22N2O3 — CID 16814032

IUPACN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O3/c1-13-7-8-15-11-17(21(25)23-19(15)14(13)2)9-10-22-20(24)16-5-4-6-18(12-16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySQIDXHMMDIQZCV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide (PubChem CID 16814032) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
PubChem CID16814032
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O3/c1-13-7-8-15-11-17(21(25)23-19(15)14(13)2)9-10-22-20(24)16-5-4-6-18(12-16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySQIDXHMMDIQZCV-UHFFFAOYSA-N
XLogP3.13
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenoxypropanamide
CID 110326207
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 5050311
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325623
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080105
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
3-(4-methoxyphenyl)-N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110325780

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide (CID 16814032) is N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c1.
What is the InChIKey of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide?
The InChIKey is SQIDXHMMDIQZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-7-8-15-11-17(21(25)23-19(15)14(13)2)9-10-22-20(24)16-5-4-6-18(12-16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide?
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 16814032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).