3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one

C15H21N3O — CID 3171688

IUPAC3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCCN(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-11-4-5-12-9-13(10-16-6-7-18(2)3)15(19)17-14(12)8-11/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,17,19)
InChIKeyUADJWJFQOZPGMJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.49
Rot. Bonds5

About 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one

3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 3171688) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
PubChem CID3171688
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNCCN(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C15H21N3O/c1-11-4-5-12-9-13(10-16-6-7-18(2)3)15(19)17-14(12)8-11/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,17,19)
InChIKeyUADJWJFQOZPGMJ-UHFFFAOYSA-N
XLogP1.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132948104
3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 131949176
1-[2-(dimethylamino)ethyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 1141821
3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
CID 171669839

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one (CID 3171688) is 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CNCCN(C)C)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is UADJWJFQOZPGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-5-12-9-13(10-16-6-7-18(2)3)15(19)17-14(12)8-11/h4-5,8-9,16H,6-7,10H2,1-3H3,(H,17,19).
What are the key properties of 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one?
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3171688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).