N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide

C13H20N4O3S — CID 106333687

IUPACN-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-6-2-5-15-12-8-11-9(7-10(12)14)3-4-13(18)17-11/h7-8,15-16H,2-6,14H2,1H3,(H,17,18)
InChIKeyAVYXPUJAJPXKJY-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.50
Rot. Bonds6

About N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide

N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide (PubChem CID 106333687) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide
PubChem CID106333687
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-6-2-5-15-12-8-11-9(7-10(12)14)3-4-13(18)17-11/h7-8,15-16H,2-6,14H2,1H3,(H,17,18)
InChIKeyAVYXPUJAJPXKJY-UHFFFAOYSA-N
XLogP0.50
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
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
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
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
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide (CID 106333687) is N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide?
The InChIKey is AVYXPUJAJPXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)16-6-2-5-15-12-8-11-9(7-10(12)14)3-4-13(18)17-11/h7-8,15-16H,2-6,14H2,1H3,(H,17,18).
What are the key properties of N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide?
N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106333687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).