2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C15H19ClN2O — CID 170442480

IUPAC2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CCl)N1CC(N2CCCC2)Cc2ccccc21
InChIInChI=1S/C15H19ClN2O/c16-10-15(19)18-11-13(17-7-3-4-8-17)9-12-5-1-2-6-14(12)18/h1-2,5-6,13H,3-4,7-11H2
InChIKeyKUGXGPRRQNWILC-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 170442480) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID170442480
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CCl)N1CC(N2CCCC2)Cc2ccccc21
InChIInChI=1S/C15H19ClN2O/c16-10-15(19)18-11-13(17-7-3-4-8-17)9-12-5-1-2-6-14(12)18/h1-2,5-6,13H,3-4,7-11H2
InChIKeyKUGXGPRRQNWILC-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
2-chloro-1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)ethanone
CID 125472514
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
1-[(6aR)-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 99848700
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
2-chloro-1-[(2S)-2-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]ethanone;ethane
CID 90976453
1-(2-benzyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-chloroethanone
CID 170442452
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2S)-4-(2-chloroacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25323366
1-[(6aR)-6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-4-prop-2-enoxybutan-1-one
CID 96519753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 170442480) is 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CCl)N1CC(N2CCCC2)Cc2ccccc21.
What is the InChIKey of 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is KUGXGPRRQNWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-10-15(19)18-11-13(17-7-3-4-8-17)9-12-5-1-2-6-14(12)18/h1-2,5-6,13H,3-4,7-11H2.
What are the key properties of 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 278.78 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 170442480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).