6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one

C13H18N2O — CID 58318174

IUPAC6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1CN(C)C)CCC(=O)N2
InChIInChI=1S/C13H18N2O/c1-9-6-12-10(4-5-13(16)14-12)7-11(9)8-15(2)3/h6-7H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyDCBGRFIUKXAGDT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.94
Rot. Bonds2

About 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one

6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 58318174) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID58318174
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1CN(C)C)CCC(=O)N2
InChIInChI=1S/C13H18N2O/c1-9-6-12-10(4-5-13(16)14-12)7-11(9)8-15(2)3/h6-7H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyDCBGRFIUKXAGDT-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 10965641
7-methyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 66881586
7-ethyl-6-iodo-3,4-dihydro-1H-quinolin-2-one
CID 145283835
6-(chloromethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457700
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455478
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one (CID 58318174) is 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1CN(C)C)CCC(=O)N2.
What is the InChIKey of 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DCBGRFIUKXAGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-12-10(4-5-13(16)14-12)7-11(9)8-15(2)3/h6-7H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one?
6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 58318174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).