4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide

C15H19N3OS — CID 115751987

IUPAC4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
SMILESCSCCC(C)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C15H19N3OS/c1-10(7-8-20-2)17-15(19)14-9-12(16)11-5-3-4-6-13(11)18-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyIGZJKZFXBPTLSF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.69
Rot. Bonds5

About 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide

4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide (PubChem CID 115751987) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
PubChem CID115751987
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
SMILESCSCCC(C)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C15H19N3OS/c1-10(7-8-20-2)17-15(19)14-9-12(16)11-5-3-4-6-13(11)18-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyIGZJKZFXBPTLSF-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-methylpentyl 4-aminoquinoline-2-carboxylate
CID 115485965
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide (CID 115751987) is 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide is CSCCC(C)NC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide?
The InChIKey is IGZJKZFXBPTLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(7-8-20-2)17-15(19)14-9-12(16)11-5-3-4-6-13(11)18-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide?
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 115751987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).