N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide

C24H28N2O2 — CID 130421212

IUPACN-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)(Cc3ccccc3)CC(C)C)cnc12
InChIInChI=1S/C24H28N2O2/c1-17(2)14-24(3,15-18-9-6-5-7-10-18)26-23(27)20-13-19-11-8-12-21(28-4)22(19)25-16-20/h5-13,16-17H,14-15H2,1-4H3,(H,26,27)
InChIKeyLGONIMIYWIPYJG-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.02
Rot. Bonds7

About N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide

N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide (PubChem CID 130421212) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
PubChem CID130421212
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)(Cc3ccccc3)CC(C)C)cnc12
InChIInChI=1S/C24H28N2O2/c1-17(2)14-24(3,15-18-9-6-5-7-10-18)26-23(27)20-13-19-11-8-12-21(28-4)22(19)25-16-20/h5-13,16-17H,14-15H2,1-4H3,(H,26,27)
InChIKeyLGONIMIYWIPYJG-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide (CID 130421212) is N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide is COc1cccc2cc(C(=O)NC(C)(Cc3ccccc3)CC(C)C)cnc12.
What is the InChIKey of N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide?
The InChIKey is LGONIMIYWIPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17(2)14-24(3,15-18-9-6-5-7-10-18)26-23(27)20-13-19-11-8-12-21(28-4)22(19)25-16-20/h5-13,16-17H,14-15H2,1-4H3,(H,26,27).
What are the key properties of N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide?
N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1-phenylpentan-2-yl)-8-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 130421212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).