N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide

C16H21N3O — CID 106164388

IUPACN-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H21N3O/c1-3-16(2,8-9-17)19-15(20)13-6-7-14-12(11-13)5-4-10-18-14/h4-7,10-11H,3,8-9,17H2,1-2H3,(H,19,20)
InChIKeyLMXHRGOWQHGVLA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds5

About N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide

N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide (PubChem CID 106164388) 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-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
PubChem CID106164388
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
SMILESCCC(C)(CCN)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H21N3O/c1-3-16(2,8-9-17)19-15(20)13-6-7-14-12(11-13)5-4-10-18-14/h4-7,10-11H,3,8-9,17H2,1-2H3,(H,19,20)
InChIKeyLMXHRGOWQHGVLA-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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide (CID 106164388) is N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide is CCC(C)(CCN)NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide?
The InChIKey is LMXHRGOWQHGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-16(2,8-9-17)19-15(20)13-6-7-14-12(11-13)5-4-10-18-14/h4-7,10-11H,3,8-9,17H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide?
N-(1-amino-3-methylpentan-3-yl)quinoline-6-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-6-carboxamide is sourced from PubChem (CID 106164388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).