N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide

C22H31N3O — CID 46090939

IUPACN-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)NC(C)C(C)(C)C)c3ccccc3n2)C1
InChIInChI=1S/C22H31N3O/c1-15-9-8-12-25(14-15)20-13-18(17-10-6-7-11-19(17)24-20)21(26)23-16(2)22(3,4)5/h6-7,10-11,13,15-16H,8-9,12,14H2,1-5H3,(H,23,26)
InChIKeyKXWQAYKJHORMIC-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.64
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide

N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 46090939) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
PubChem CID46090939
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)NC(C)C(C)(C)C)c3ccccc3n2)C1
InChIInChI=1S/C22H31N3O/c1-15-9-8-12-25(14-15)20-13-18(17-10-6-7-11-19(17)24-20)21(26)23-16(2)22(3,4)5/h6-7,10-11,13,15-16H,8-9,12,14H2,1-5H3,(H,23,26)
InChIKeyKXWQAYKJHORMIC-UHFFFAOYSA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide (CID 46090939) is N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide is CC1CCCN(c2cc(C(=O)NC(C)C(C)(C)C)c3ccccc3n2)C1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is KXWQAYKJHORMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-15-9-8-12-25(14-15)20-13-18(17-10-6-7-11-19(17)24-20)21(26)23-16(2)22(3,4)5/h6-7,10-11,13,15-16H,8-9,12,14H2,1-5H3,(H,23,26).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46090939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).