8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one

C15H21N3O — CID 122180537

IUPAC8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cccc(NCCCN(C)C)c2[nH]c1=O
InChIInChI=1S/C15H21N3O/c1-11-10-12-6-4-7-13(14(12)17-15(11)19)16-8-5-9-18(2)3/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyDMHFWPATBJKDSY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.20
Rot. Bonds5

About 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one

8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one (PubChem CID 122180537) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one
PubChem CID122180537
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one
SMILESCc1cc2cccc(NCCCN(C)C)c2[nH]c1=O
InChIInChI=1S/C15H21N3O/c1-11-10-12-6-4-7-13(14(12)17-15(11)19)16-8-5-9-18(2)3/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyDMHFWPATBJKDSY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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

N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
1-[2-(dimethylamino)ethyl]-3-[3-(dimethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172503
1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
3-[[2-(butylamino)phenyl]methyl]-8-methyl-1H-quinolin-2-one
CID 70399891
3-N-[3-(dimethylamino)propyl]benzene-1,2,3-triamine
CID 86225752
1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione
CID 175308247
3-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3171334
1-cyclopentyl-3-[3-(dimethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3169907
3-[[5-[3-(dimethylamino)propylamino]-9,10-dioxoanthracen-1-yl]amino]propyl-trimethylazanium
CID 135183143
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
3-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80778166
4-[3-(dimethylamino)propylamino]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 16721066

Frequently Asked Questions

What is the IUPAC name of 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one?
The IUPAC name of 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one (CID 122180537) is 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one is Cc1cc2cccc(NCCCN(C)C)c2[nH]c1=O.
What is the InChIKey of 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one?
The InChIKey is DMHFWPATBJKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-10-12-6-4-7-13(14(12)17-15(11)19)16-8-5-9-18(2)3/h4,6-7,10,16H,5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one?
8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(dimethylamino)propylamino]-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 122180537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).