2-chloro-N-quinolin-3-ylpropanamide

C12H11ClN2O — CID 43346759

IUPAC2-chloro-N-quinolin-3-ylpropanamide
SMILESCC(Cl)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H11ClN2O/c1-8(13)12(16)15-10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3,(H,15,16)
InChIKeyAOZIQRTWMQQNOF-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-N-quinolin-3-ylpropanamide

2-chloro-N-quinolin-3-ylpropanamide (PubChem CID 43346759) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-quinolin-3-ylpropanamide
PubChem CID43346759
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-N-quinolin-3-ylpropanamide
SMILESCC(Cl)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H11ClN2O/c1-8(13)12(16)15-10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3,(H,15,16)
InChIKeyAOZIQRTWMQQNOF-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330456
3-amino-3-hydroxyimino-2-methyl-N-quinolin-3-ylpropanamide
CID 76949639
(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
methyl N-quinolin-3-ylcarbamate
CID 19697860
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
2-(4-bromophenoxy)-N-quinolin-3-ylpropanamide
CID 46525134
2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide
CID 19059113
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
CID 34031140
N'-hydroxy-2-methyl-N-quinolin-3-yloctanediamide
CID 142680437
2,6-difluoro-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 46525186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-3-ylpropanamide?
The IUPAC name of 2-chloro-N-quinolin-3-ylpropanamide (CID 43346759) is 2-chloro-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 2-chloro-N-quinolin-3-ylpropanamide?
The canonical SMILES for 2-chloro-N-quinolin-3-ylpropanamide is CC(Cl)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-chloro-N-quinolin-3-ylpropanamide?
The InChIKey is AOZIQRTWMQQNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8(13)12(16)15-10-6-9-4-2-3-5-11(9)14-7-10/h2-8H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-quinolin-3-ylpropanamide?
2-chloro-N-quinolin-3-ylpropanamide has a molecular weight of 234.69 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 43346759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).