2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid

C20H24N2O3 — CID 120533028

IUPAC2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
SMILESO=C(Cc1cccc2cccnc12)NC1CCCCCCC1C(=O)O
InChIInChI=1S/C20H24N2O3/c23-18(13-15-8-5-7-14-9-6-12-21-19(14)15)22-17-11-4-2-1-3-10-16(17)20(24)25/h5-9,12,16-17H,1-4,10-11,13H2,(H,22,23)(H,24,25)
InChIKeyJWOKYVZJUVKIOM-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds4

About 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid

2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid (PubChem CID 120533028) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
PubChem CID120533028
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid
SMILESO=C(Cc1cccc2cccnc12)NC1CCCCCCC1C(=O)O
InChIInChI=1S/C20H24N2O3/c23-18(13-15-8-5-7-14-9-6-12-21-19(14)15)22-17-11-4-2-1-3-10-16(17)20(24)25/h5-9,12,16-17H,1-4,10-11,13H2,(H,22,23)(H,24,25)
InChIKeyJWOKYVZJUVKIOM-UHFFFAOYSA-N
XLogP3.32
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
N-cyclohexyl-2-(quinolin-8-ylmethylcarbamoylamino)acetamide
CID 51099740
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
N-[3-[acetyl(methyl)amino]cyclohexyl]-2-quinolin-8-ylacetamide
CID 166373675
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-(quinolin-8-ylmethyl)azepane-2-carboxamide
CID 81427479
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid (CID 120533028) is 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid is O=C(Cc1cccc2cccnc12)NC1CCCCCCC1C(=O)O.
What is the InChIKey of 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is JWOKYVZJUVKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(13-15-8-5-7-14-9-6-12-21-19(14)15)22-17-11-4-2-1-3-10-16(17)20(24)25/h5-9,12,16-17H,1-4,10-11,13H2,(H,22,23)(H,24,25).
What are the key properties of 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid?
2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-quinolin-8-ylacetyl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120533028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).