N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide

C17H23N3O — CID 62181643

IUPACN-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(NC)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-4-8-12(5-2)19-17(21)14-11-16(18-3)20-15-10-7-6-9-13(14)15/h6-7,9-12H,4-5,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeySSDACIQWXCUKAQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.59
Rot. Bonds6

About N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide

N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide (PubChem CID 62181643) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
PubChem CID62181643
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(NC)nc2ccccc12
InChIInChI=1S/C17H23N3O/c1-4-8-12(5-2)19-17(21)14-11-16(18-3)20-15-10-7-6-9-13(14)15/h6-7,9-12H,4-5,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeySSDACIQWXCUKAQ-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
CID 63375019
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide
CID 46098215

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide (CID 62181643) is N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide is CCCC(CC)NC(=O)c1cc(NC)nc2ccccc12.
What is the InChIKey of N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is SSDACIQWXCUKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-8-12(5-2)19-17(21)14-11-16(18-3)20-15-10-7-6-9-13(14)15/h6-7,9-12H,4-5,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide?
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 62181643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).