N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide

C15H18N2O2 — CID 115673293

IUPACN-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-11(18)8-10-17(2)15(19)13-7-3-5-12-6-4-9-16-14(12)13/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyVAWUWKVSLZZPII-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.08
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide

N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide (PubChem CID 115673293) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
PubChem CID115673293
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H18N2O2/c1-11(18)8-10-17(2)15(19)13-7-3-5-12-6-4-9-16-14(12)13/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyVAWUWKVSLZZPII-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
N-[2-(4-fluorophenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119617
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
CID 86882760
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
2-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide (CID 115673293) is N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide is CC(O)CCN(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide?
The InChIKey is VAWUWKVSLZZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(18)8-10-17(2)15(19)13-7-3-5-12-6-4-9-16-14(12)13/h3-7,9,11,18H,8,10H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide?
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 115673293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).