N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide

C20H18ClN3O3 — CID 9468037

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C20H18ClN3O3/c1-24(12-18(25)23-16-11-14(21)8-9-17(16)27-2)20(26)15-7-3-5-13-6-4-10-22-19(13)15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyXTDWYUQXGUQSMD-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide (PubChem CID 9468037) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide
PubChem CID9468037
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C20H18ClN3O3/c1-24(12-18(25)23-16-11-14(21)8-9-17(16)27-2)20(26)15-7-3-5-13-6-4-10-22-19(13)15/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyXTDWYUQXGUQSMD-UHFFFAOYSA-N
XLogP3.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Chloro-2,5-Dimethoxyphenyl)quinoline-8-Carboxamide
CID 9362340
8-chloro-N,N-dimethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxamide
CID 10530686
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide
CID 10744240
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 10895039
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-carboxamide
CID 122183778
2-chloro-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 947633
N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 767774
7-(2-(3-(5-chloro-2-methoxy-4-methylphenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11235672
7-(2-(3-(4-chloro-2-methoxy-5-methylphenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11750681
4-(3,4-Dichlorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571148
4-(2,3-Dichlorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571149
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide
CID 73437677

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide (CID 9468037) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide?
The InChIKey is XTDWYUQXGUQSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-24(12-18(25)23-16-11-14(21)8-9-17(16)27-2)20(26)15-7-3-5-13-6-4-10-22-19(13)15/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 9468037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).