N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide

C14H15N3OS — CID 62851157

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
SMILESCC(CNC(=O)c1ccc2ncccc2c1)C(N)=S
InChIInChI=1S/C14H15N3OS/c1-9(13(15)19)8-17-14(18)11-4-5-12-10(7-11)3-2-6-16-12/h2-7,9H,8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyBAHKHFKGWMRIFM-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.89
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide (PubChem CID 62851157) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
PubChem CID62851157
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
SMILESCC(CNC(=O)c1ccc2ncccc2c1)C(N)=S
InChIInChI=1S/C14H15N3OS/c1-9(13(15)19)8-17-14(18)11-4-5-12-10(7-11)3-2-6-16-12/h2-7,9H,8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyBAHKHFKGWMRIFM-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-6-bromonaphthalene-2-carboxamide
CID 115353870
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide (CID 62851157) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide is CC(CNC(=O)c1ccc2ncccc2c1)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide?
The InChIKey is BAHKHFKGWMRIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9(13(15)19)8-17-14(18)11-4-5-12-10(7-11)3-2-6-16-12/h2-7,9H,8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide is sourced from PubChem (CID 62851157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).