2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C16H24N2O — CID 24691290

IUPAC2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(CC)NC(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-12(5-2)18-16(19)14-10-11(3)17-15-9-7-6-8-13(14)15/h6-9,11-12,14,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyKPTJMEQHXKUBJR-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide

2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 24691290) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID24691290
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCCC(CC)NC(=O)C1CC(C)Nc2ccccc21
InChIInChI=1S/C16H24N2O/c1-4-12(5-2)18-16(19)14-10-11(3)17-15-9-7-6-8-13(14)15/h6-9,11-12,14,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyKPTJMEQHXKUBJR-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 24691290) is 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CCC(CC)NC(=O)C1CC(C)Nc2ccccc21.
What is the InChIKey of 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is KPTJMEQHXKUBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-12(5-2)18-16(19)14-10-11(3)17-15-9-7-6-8-13(14)15/h6-9,11-12,14,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 24691290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).