N-hexyl-2-methylquinoline-3-carboxamide

C17H22N2O — CID 110489615

IUPACN-hexyl-2-methylquinoline-3-carboxamide
SMILESCCCCCCNC(=O)c1cc2ccccc2nc1C
InChIInChI=1S/C17H22N2O/c1-3-4-5-8-11-18-17(20)15-12-14-9-6-7-10-16(14)19-13(15)2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyCFAKBTWRXBHXIV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds6

About N-hexyl-2-methylquinoline-3-carboxamide

N-hexyl-2-methylquinoline-3-carboxamide (PubChem CID 110489615) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-hexyl-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-methylquinoline-3-carboxamide
PubChem CID110489615
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-hexyl-2-methylquinoline-3-carboxamide
SMILESCCCCCCNC(=O)c1cc2ccccc2nc1C
InChIInChI=1S/C17H22N2O/c1-3-4-5-8-11-18-17(20)15-12-14-9-6-7-10-16(14)19-13(15)2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyCFAKBTWRXBHXIV-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-methylbenzamide
CID 3017102
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 110489587
2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide
CID 86888127
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methylquinoline-3-carboxamide?
The IUPAC name of N-hexyl-2-methylquinoline-3-carboxamide (CID 110489615) is N-hexyl-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-hexyl-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-hexyl-2-methylquinoline-3-carboxamide is CCCCCCNC(=O)c1cc2ccccc2nc1C.
What is the InChIKey of N-hexyl-2-methylquinoline-3-carboxamide?
The InChIKey is CFAKBTWRXBHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-4-5-8-11-18-17(20)15-12-14-9-6-7-10-16(14)19-13(15)2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,20).
What are the key properties of N-hexyl-2-methylquinoline-3-carboxamide?
N-hexyl-2-methylquinoline-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 110489615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).