methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate

C20H25ClN2O3 — CID 45175991

IUPACmethyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate
SMILESCCC1CCCCN1Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O
InChIInChI=1S/C20H25ClN2O3/c1-3-17-6-4-5-9-22(17)12-15-10-14-7-8-16(21)11-18(14)23(20(15)25)13-19(24)26-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3
InChIKeyGEKYOMKVSRIBNT-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate

methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate (PubChem CID 45175991) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate
PubChem CID45175991
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Namemethyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate
SMILESCCC1CCCCN1Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O
InChIInChI=1S/C20H25ClN2O3/c1-3-17-6-4-5-9-22(17)12-15-10-14-7-8-16(21)11-18(14)23(20(15)25)13-19(24)26-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3
InChIKeyGEKYOMKVSRIBNT-UHFFFAOYSA-N
XLogP3.59
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(2-ethylpyrrolidin-1-yl)methyl]phenol
CID 82982483
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
1-[1-[(5-chloro-2-fluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 103046626
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
7-chloro-1-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 56860890
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
3-amino-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167860
1-[(2,6-dichloro-3-pyridinyl)methyl]-2-ethylazepane
CID 106993927

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate?
The IUPAC name of methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate (CID 45175991) is methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate.
What is the SMILES notation for methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate?
The canonical SMILES for methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate is CCC1CCCCN1Cc1cc2ccc(Cl)cc2n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate?
The InChIKey is GEKYOMKVSRIBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-3-17-6-4-5-9-22(17)12-15-10-14-7-8-16(21)11-18(14)23(20(15)25)13-19(24)26-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3.
What are the key properties of methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate?
methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate has a molecular weight of 376.88 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-chloro-3-[(2-ethylpiperidin-1-yl)methyl]-2-oxoquinolin-1-yl]acetate is sourced from PubChem (CID 45175991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).