[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate

C18H21ClN2O3 — CID 46676349

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)NCCC(C)C
InChIInChI=1S/C18H21ClN2O3/c1-11(2)6-7-20-17(22)10-24-18(23)15-9-13-8-14(19)4-5-16(13)21-12(15)3/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,22)
InChIKeyAZHYIASQECMVOZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.52
Rot. Bonds6

About [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate

[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate (PubChem CID 46676349) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
PubChem CID46676349
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)NCCC(C)C
InChIInChI=1S/C18H21ClN2O3/c1-11(2)6-7-20-17(22)10-24-18(23)15-9-13-8-14(19)4-5-16(13)21-12(15)3/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,22)
InChIKeyAZHYIASQECMVOZ-UHFFFAOYSA-N
XLogP3.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676127
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676510
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 37235013
[2-(3-methylbutylamino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859585
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604174
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611578
[2-(3-methylbutylamino)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974945
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
CID 36943257
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2629654
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46509531
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate (CID 46676349) is [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate is Cc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)NCCC(C)C.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
The InChIKey is AZHYIASQECMVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11(2)6-7-20-17(22)10-24-18(23)15-9-13-8-14(19)4-5-16(13)21-12(15)3/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,20,22).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate has a molecular weight of 348.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 46676349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).