6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate

C23H31N5O5S — CID 143592927

IUPAC6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate
SMILESNC(=O)OCc1ccccc1.NS(O)(O)NCCCCCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H22N4O3S.C8H9NO2/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13;9-8(10)11-6-7-4-2-1-3-5-7/h3-4,6-7,10-11,18,21-22H,1-2,5,8-9,16H2,(H,19,20);1-5H,6H2,(H2,9,10)
InChIKeyQJUFRPXAIDVPMH-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.14
Rot. Bonds10

About 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate

6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate (PubChem CID 143592927) has the molecular formula C23H31N5O5S and a molecular weight of 489.60 g/mol. Its IUPAC name is 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate.

Molecular Properties

Compound Name6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate
PubChem CID143592927
Molecular FormulaC23H31N5O5S
Molecular Weight489.60 g/mol
Exact Mass489.20
IUPAC Name6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate
SMILESNC(=O)OCc1ccccc1.NS(O)(O)NCCCCCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H22N4O3S.C8H9NO2/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13;9-8(10)11-6-7-4-2-1-3-5-7/h3-4,6-7,10-11,18,21-22H,1-2,5,8-9,16H2,(H,19,20);1-5H,6H2,(H2,9,10)
InChIKeyQJUFRPXAIDVPMH-UHFFFAOYSA-N
XLogP4.14
TPSA172.82 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 54.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate with MolForge

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Related Compounds

4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
2,2-dimethylpropane;3-phenyl-N-quinolin-3-ylpropanamide
CID 91168668
N-quinolin-3-yl-3-thiophen-3-ylpropanamide
CID 29330989
4-[6-(aminosulfanylamino)hexanoylamino]benzoic acid;benzyl carbamate
CID 143593142
6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)hexanamide;benzyl carbamate
CID 143592962
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390
3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873

Frequently Asked Questions

What is the IUPAC name of 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate?
The IUPAC name of 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate (CID 143592927) is 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate.
What is the SMILES notation for 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate?
The canonical SMILES for 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate is NC(=O)OCc1ccccc1.NS(O)(O)NCCCCCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate?
The InChIKey is QJUFRPXAIDVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S.C8H9NO2/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13;9-8(10)11-6-7-4-2-1-3-5-7/h3-4,6-7,10-11,18,21-22H,1-2,5,8-9,16H2,(H,19,20);1-5H,6H2,(H2,9,10).
What are the key properties of 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate?
6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate has a molecular weight of 489.60 g/mol, XLogP of 4.14, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[amino(dihydroxy)-λ4-sulfanyl]amino]-N-quinolin-3-ylhexanamide;benzyl carbamate is sourced from PubChem (CID 143592927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).