6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

C14H19ClN2O — CID 115215508

IUPAC6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN(CCCCl)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C14H19ClN2O/c1-16(9-3-8-15)12-5-6-13-11(10-12)4-7-14(18)17(13)2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyOSNANSNEQCOFMC-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.66
Rot. Bonds4

About 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one

6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 115215508) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID115215508
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN(CCCCl)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C14H19ClN2O/c1-16(9-3-8-15)12-5-6-13-11(10-12)4-7-14(18)17(13)2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyOSNANSNEQCOFMC-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 115215508) is 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is CN(CCCCl)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is OSNANSNEQCOFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16(9-3-8-15)12-5-6-13-11(10-12)4-7-14(18)17(13)2/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloropropyl(methyl)amino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115215508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).