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'}

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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).