methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate

C19H22N2O4 — CID 171676120

IUPACmethyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cnc2ccc(OC)cc2c1)C1CCCC1
InChIInChI=1S/C19H22N2O4/c1-24-16-7-8-17-13(10-16)9-14(11-20-17)19(23)21(12-18(22)25-2)15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3
InChIKeyICGUJVDWSZBHQF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.80
Rot. Bonds5

About methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate

methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate (PubChem CID 171676120) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate
PubChem CID171676120
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cnc2ccc(OC)cc2c1)C1CCCC1
InChIInChI=1S/C19H22N2O4/c1-24-16-7-8-17-13(10-16)9-14(11-20-17)19(23)21(12-18(22)25-2)15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3
InChIKeyICGUJVDWSZBHQF-UHFFFAOYSA-N
XLogP2.80
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
methyl 3-(6-methoxyquinolin-3-yl)-3-oxopropanoate
CID 82665608
methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 80709959
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
N-(2-hydroxyethyl)-6-methoxyquinoline-3-carboxamide
CID 110489941
(6-methoxyquinolin-3-yl)-phenylmethanone
CID 102416724
(1-methylpiperidin-2-yl)methyl 6-methoxyquinoline-3-carboxylate
CID 19794452
methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
CID 75381587
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
CID 175054365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate (CID 171676120) is methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1cnc2ccc(OC)cc2c1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate?
The InChIKey is ICGUJVDWSZBHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-7-8-17-13(10-16)9-14(11-20-17)19(23)21(12-18(22)25-2)15-5-3-4-6-15/h7-11,15H,3-6,12H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate?
methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate has a molecular weight of 342.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 171676120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).