N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide

C15H18N2O2 — CID 65115019

IUPACN-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-3-15(2,19)10-16-14(18)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,19H,3,10H2,1-2H3,(H,16,18)
InChIKeyLOXBLYWHZCOIBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide

N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide (PubChem CID 65115019) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
PubChem CID65115019
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O2/c1-3-15(2,19)10-16-14(18)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,19H,3,10H2,1-2H3,(H,16,18)
InChIKeyLOXBLYWHZCOIBD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
CID 106250441
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
CID 62517417
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide (CID 65115019) is N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide is CCC(C)(O)CNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide?
The InChIKey is LOXBLYWHZCOIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-15(2,19)10-16-14(18)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,19H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide?
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide is sourced from PubChem (CID 65115019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).