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

C14H22N4O — CID 43455538

IUPAC6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)CCCNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C14H22N4O/c1-18(2)7-3-6-16-13-9-12-10(8-11(13)15)4-5-14(19)17-12/h8-9,16H,3-7,15H2,1-2H3,(H,17,19)
InChIKeyRBYFSTRHQGUZLV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.52
Rot. Bonds5

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

6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455538) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455538
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)CCCNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C14H22N4O/c1-18(2)7-3-6-16-13-9-12-10(8-11(13)15)4-5-14(19)17-12/h8-9,16H,3-7,15H2,1-2H3,(H,17,19)
InChIKeyRBYFSTRHQGUZLV-UHFFFAOYSA-N
XLogP1.52
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide
CID 106333687
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
6-amino-7-[(2-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 107411249
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43455538) is 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one is CN(C)CCCNc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RBYFSTRHQGUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(2)7-3-6-16-13-9-12-10(8-11(13)15)4-5-14(19)17-12/h8-9,16H,3-7,15H2,1-2H3,(H,17,19).
What are the key properties of 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).