N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C18H24N2O3 — CID 111464117

IUPACN-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCC1CCCC1O
InChIInChI=1S/C18H24N2O3/c21-16-7-3-5-14(16)11-19-17(22)9-8-13-10-12-4-1-2-6-15(12)20-18(13)23/h1-2,4,6,13-14,16,21H,3,5,7-11H2,(H,19,22)(H,20,23)
InChIKeyXLFYAEVXGNLSIH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 111464117) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID111464117
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCC1CCCC1O
InChIInChI=1S/C18H24N2O3/c21-16-7-3-5-14(16)11-19-17(22)9-8-13-10-12-4-1-2-6-15(12)20-18(13)23/h1-2,4,6,13-14,16,21H,3,5,7-11H2,(H,19,22)(H,20,23)
InChIKeyXLFYAEVXGNLSIH-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119619916
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
N-(3-hydroxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78854593
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 18143095
N-[(2-fluorophenyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16621979
N-[3-(methylamino)propyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119430985
N-(3-cyclohexyloxypropyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143021
cis-(1S,3R)-3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675455
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 111464117) is N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)NCC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is XLFYAEVXGNLSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16-7-3-5-14(16)11-19-17(22)9-8-13-10-12-4-1-2-6-15(12)20-18(13)23/h1-2,4,6,13-14,16,21H,3,5,7-11H2,(H,19,22)(H,20,23).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 111464117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).