N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide

C16H21N3O — CID 106164386

IUPACN-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-3-16(2,9-10-17)19-15(20)13-8-4-6-12-7-5-11-18-14(12)13/h4-8,11H,3,9-10,17H2,1-2H3,(H,19,20)
InChIKeyKLXVFQSMHFVNJK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds5

About N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide

N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide (PubChem CID 106164386) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
PubChem CID106164386
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-3-16(2,9-10-17)19-15(20)13-8-4-6-12-7-5-11-18-14(12)13/h4-8,11H,3,9-10,17H2,1-2H3,(H,19,20)
InChIKeyKLXVFQSMHFVNJK-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
CID 104580990
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
2-(aminomethyl)-2-ethyl-1-quinolin-8-ylbutan-1-one
CID 116603879
N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
CID 103946162
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
CID 106164117

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide (CID 106164386) is N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide is CCC(C)(CCN)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide?
The InChIKey is KLXVFQSMHFVNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-16(2,9-10-17)19-15(20)13-8-4-6-12-7-5-11-18-14(12)13/h4-8,11H,3,9-10,17H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide?
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide is sourced from PubChem (CID 106164386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).