6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

C14H19ClN2O — CID 115215832

IUPAC6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCNCCCCl)ccc2N1
InChIInChI=1S/C14H19ClN2O/c15-7-1-8-16-9-6-11-2-4-13-12(10-11)3-5-14(18)17-13/h2,4,10,16H,1,3,5-9H2,(H,17,18)
InChIKeyKGARQFFBGIUFMF-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.33
Rot. Bonds6

About 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115215832) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115215832
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCNCCCCl)ccc2N1
InChIInChI=1S/C14H19ClN2O/c15-7-1-8-16-9-6-11-2-4-13-12(10-11)3-5-14(18)17-13/h2,4,10,16H,1,3,5-9H2,(H,17,18)
InChIKeyKGARQFFBGIUFMF-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[(4-hydroxybutylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217584
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
CID 110788676

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 115215832) is 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCNCCCCl)ccc2N1.
What is the InChIKey of 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KGARQFFBGIUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-7-1-8-16-9-6-11-2-4-13-12(10-11)3-5-14(18)17-13/h2,4,10,16H,1,3,5-9H2,(H,17,18).
What are the key properties of 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115215832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).