1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid

C16H17NO2 — CID 79425688

IUPAC1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ccccc3n2)CCCC1
InChIInChI=1S/C16H17NO2/c18-15(19)16(9-3-4-10-16)11-13-8-7-12-5-1-2-6-14(12)17-13/h1-2,5-8H,3-4,9-11H2,(H,18,19)
InChIKeyHPOGYFRJHYBMDW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.42
Rot. Bonds3

About 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid

1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 79425688) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID79425688
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ccccc3n2)CCCC1
InChIInChI=1S/C16H17NO2/c18-15(19)16(9-3-4-10-16)11-13-8-7-12-5-1-2-6-14(12)17-13/h1-2,5-8H,3-4,9-11H2,(H,18,19)
InChIKeyHPOGYFRJHYBMDW-UHFFFAOYSA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425020
3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
CID 79425404
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
1-(1-aminocyclobutyl)-3-quinolin-2-ylpropan-2-one
CID 116591404
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
CID 63125876
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid (CID 79425688) is 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2ccc3ccccc3n2)CCCC1.
What is the InChIKey of 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is HPOGYFRJHYBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15(19)16(9-3-4-10-16)11-13-8-7-12-5-1-2-6-14(12)17-13/h1-2,5-8H,3-4,9-11H2,(H,18,19).
What are the key properties of 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid?
1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79425688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).