N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide

C15H18N2O2 — CID 115770742

IUPACN-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
SMILESCC(CO)C(C)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O2/c1-10(9-18)11(2)17-15(19)13-5-3-7-14-12(13)6-4-8-16-14/h3-8,10-11,18H,9H2,1-2H3,(H,17,19)
InChIKeyJFGIQUHRMFXMFX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.98
Rot. Bonds4

About N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide (PubChem CID 115770742) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
PubChem CID115770742
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
SMILESCC(CO)C(C)NC(=O)c1cccc2ncccc12
InChIInChI=1S/C15H18N2O2/c1-10(9-18)11(2)17-15(19)13-5-3-7-14-12(13)6-4-8-16-14/h3-8,10-11,18H,9H2,1-2H3,(H,17,19)
InChIKeyJFGIQUHRMFXMFX-UHFFFAOYSA-N
XLogP1.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
CID 62696329
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-(4-hydroxy-3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107035471
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide (CID 115770742) is N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide is CC(CO)C(C)NC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide?
The InChIKey is JFGIQUHRMFXMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(9-18)11(2)17-15(19)13-5-3-7-14-12(13)6-4-8-16-14/h3-8,10-11,18H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide is sourced from PubChem (CID 115770742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).