6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C15H21N3O — CID 116951044

IUPAC6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1ccc2c(c1)CCC(=O)N2)C1CCNC1
InChIInChI=1S/C15H21N3O/c1-16-15(12-6-7-17-9-12)11-2-4-13-10(8-11)3-5-14(19)18-13/h2,4,8,12,15-17H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyXTNQWDKLSPCTCD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.44
Rot. Bonds3

About 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116951044) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID116951044
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(c1ccc2c(c1)CCC(=O)N2)C1CCNC1
InChIInChI=1S/C15H21N3O/c1-16-15(12-6-7-17-9-12)11-2-4-13-10(8-11)3-5-14(19)18-13/h2,4,8,12,15-17H,3,5-7,9H2,1H3,(H,18,19)
InChIKeyXTNQWDKLSPCTCD-UHFFFAOYSA-N
XLogP1.44
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one 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

6-[methylamino(pyrrolidin-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 116951071
7-[methylamino(oxan-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 63012708
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119729826
6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 103162813
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951094
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
6-[1-(methylamino)-3-sulfanylpropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116831398
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915

Frequently Asked Questions

What is the IUPAC name of 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 116951044) is 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is CNC(c1ccc2c(c1)CCC(=O)N2)C1CCNC1.
What is the InChIKey of 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XTNQWDKLSPCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-15(12-6-7-17-9-12)11-2-4-13-10(8-11)3-5-14(19)18-13/h2,4,8,12,15-17H,3,5-7,9H2,1H3,(H,18,19).
What are the key properties of 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116951044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).