methyl 5-cyclopentylquinoline-2-carboxylate

C16H17NO2 — CID 3012201

IUPACmethyl 5-cyclopentylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)cccc2n1
InChIInChI=1S/C16H17NO2/c1-19-16(18)15-10-9-13-12(11-5-2-3-6-11)7-4-8-14(13)17-15/h4,7-11H,2-3,5-6H2,1H3
InChIKeyBBGIJQIRMGCNHZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.68
Rot. Bonds2

About methyl 5-cyclopentylquinoline-2-carboxylate

methyl 5-cyclopentylquinoline-2-carboxylate (PubChem CID 3012201) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 5-cyclopentylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopentylquinoline-2-carboxylate
PubChem CID3012201
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 5-cyclopentylquinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCC3)cccc2n1
InChIInChI=1S/C16H17NO2/c1-19-16(18)15-10-9-13-12(11-5-2-3-6-11)7-4-8-14(13)17-15/h4,7-11H,2-3,5-6H2,1H3
InChIKeyBBGIJQIRMGCNHZ-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinaldic Acid
CID 7124
Neocinchophen
CID 68089
Methyl 3-isoquinolinecarboxylate
CID 725374
9-Acridinecarboxylic acid, methyl ester
CID 21211
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
(1-Butylpiperidin-4-yl)methyl 2-cyclopropylquinoline-4-carboxylate
CID 145988201
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
[2-(Dimethylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate
CID 16279786
Methyl 2-propylquinoline-4-carboxylate
CID 841798

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopentylquinoline-2-carboxylate?
The IUPAC name of methyl 5-cyclopentylquinoline-2-carboxylate (CID 3012201) is methyl 5-cyclopentylquinoline-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopentylquinoline-2-carboxylate?
The canonical SMILES for methyl 5-cyclopentylquinoline-2-carboxylate is COC(=O)c1ccc2c(C3CCCC3)cccc2n1.
What is the InChIKey of methyl 5-cyclopentylquinoline-2-carboxylate?
The InChIKey is BBGIJQIRMGCNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)15-10-9-13-12(11-5-2-3-6-11)7-4-8-14(13)17-15/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of methyl 5-cyclopentylquinoline-2-carboxylate?
methyl 5-cyclopentylquinoline-2-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopentylquinoline-2-carboxylate is sourced from PubChem (CID 3012201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).