N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide

C19H26N2O2S — CID 163088809

IUPACN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCSCCC(CO)NC(=O)c1cc(CC(C)C)nc2ccccc12
InChIInChI=1S/C19H26N2O2S/c1-13(2)10-15-11-17(16-6-4-5-7-18(16)20-15)19(23)21-14(12-22)8-9-24-3/h4-7,11,13-14,22H,8-10,12H2,1-3H3,(H,21,23)
InChIKeyHUEKJPBWDGNDEQ-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.28
Rot. Bonds8

About N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 163088809) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID163088809
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCSCCC(CO)NC(=O)c1cc(CC(C)C)nc2ccccc12
InChIInChI=1S/C19H26N2O2S/c1-13(2)10-15-11-17(16-6-4-5-7-18(16)20-15)19(23)21-14(12-22)8-9-24-3/h4-7,11,13-14,22H,8-10,12H2,1-3H3,(H,21,23)
InChIKeyHUEKJPBWDGNDEQ-UHFFFAOYSA-N
XLogP3.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 123132663
2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 765637
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70747319
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
(2S)-2-amino-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenylpropanamide
CID 12800380
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
CID 115751987
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-8-propan-2-yl-1H-quinoline-3-carboxamide
CID 91636835

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide (CID 163088809) is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide is CSCCC(CO)NC(=O)c1cc(CC(C)C)nc2ccccc12.
What is the InChIKey of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is HUEKJPBWDGNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13(2)10-15-11-17(16-6-4-5-7-18(16)20-15)19(23)21-14(12-22)8-9-24-3/h4-7,11,13-14,22H,8-10,12H2,1-3H3,(H,21,23).
What are the key properties of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 163088809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).