N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide

C17H22N2O2 — CID 111480649

IUPACN-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H22N2O2/c1-12(20)10-17(2,3)11-19-16(21)14-6-7-15-13(9-14)5-4-8-18-15/h4-9,12,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyXUXRYIAVMDVOJH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.76
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide (PubChem CID 111480649) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
PubChem CID111480649
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H22N2O2/c1-12(20)10-17(2,3)11-19-16(21)14-6-7-15-13(9-14)5-4-8-18-15/h4-9,12,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyXUXRYIAVMDVOJH-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-6-carboxamide
CID 106253497
N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 109399395
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-octylquinoline-6-carboxamide
CID 68863650
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide (CID 111480649) is N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide is CC(O)CC(C)(C)CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide?
The InChIKey is XUXRYIAVMDVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20)10-17(2,3)11-19-16(21)14-6-7-15-13(9-14)5-4-8-18-15/h4-9,12,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide is sourced from PubChem (CID 111480649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).