8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide

C15H17ClN2O — CID 53016162

IUPAC8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C15H17ClN2O/c1-9(2)8-17-15(19)12-7-10(3)18-14-11(12)5-4-6-13(14)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyNRWPKHGQAGOURT-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.58
Rot. Bonds3

About 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide

8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 53016162) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID53016162
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C15H17ClN2O/c1-9(2)8-17-15(19)12-7-10(3)18-14-11(12)5-4-6-13(14)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyNRWPKHGQAGOURT-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide (CID 53016162) is 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCC(C)C)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is NRWPKHGQAGOURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)8-17-15(19)12-7-10(3)18-14-11(12)5-4-6-13(14)16/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide?
8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 53016162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).