2-amino-N-hexan-3-ylquinoline-4-carboxamide

C16H21N3O — CID 62160815

IUPAC2-amino-N-hexan-3-ylquinoline-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-7-11(4-2)18-16(20)13-10-15(17)19-14-9-6-5-8-12(13)14/h5-6,8-11H,3-4,7H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyCHWUZEUIZKMLTM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds5

About 2-amino-N-hexan-3-ylquinoline-4-carboxamide

2-amino-N-hexan-3-ylquinoline-4-carboxamide (PubChem CID 62160815) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-N-hexan-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-hexan-3-ylquinoline-4-carboxamide
PubChem CID62160815
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-amino-N-hexan-3-ylquinoline-4-carboxamide
SMILESCCCC(CC)NC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-7-11(4-2)18-16(20)13-10-15(17)19-14-9-6-5-8-12(13)14/h5-6,8-11H,3-4,7H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyCHWUZEUIZKMLTM-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
N-hexan-3-yl-4-hydrazinylquinoline-2-carboxamide
CID 63375019
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
CID 65053035
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexan-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-amino-N-hexan-3-ylquinoline-4-carboxamide (CID 62160815) is 2-amino-N-hexan-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-hexan-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-hexan-3-ylquinoline-4-carboxamide is CCCC(CC)NC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-hexan-3-ylquinoline-4-carboxamide?
The InChIKey is CHWUZEUIZKMLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-7-11(4-2)18-16(20)13-10-15(17)19-14-9-6-5-8-12(13)14/h5-6,8-11H,3-4,7H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-hexan-3-ylquinoline-4-carboxamide?
2-amino-N-hexan-3-ylquinoline-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexan-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 62160815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).