2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide

C22H24N2O — CID 50765976

IUPAC2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)NCCCc3ccccc3)c2c1
InChIInChI=1S/C22H24N2O/c1-15-12-16(2)21-19(13-15)20(14-17(3)24-21)22(25)23-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,23,25)
InChIKeyDXFJQDMJSMIOFJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.52
Rot. Bonds5

About 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide

2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide (PubChem CID 50765976) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide
PubChem CID50765976
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)NCCCc3ccccc3)c2c1
InChIInChI=1S/C22H24N2O/c1-15-12-16(2)21-19(13-15)20(14-17(3)24-21)22(25)23-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,23,25)
InChIKeyDXFJQDMJSMIOFJ-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 46291561
(3S)-3-(2-fluorophenyl)-3-[(2,6,8-trimethylquinoline-4-carbonyl)amino]propanoic acid
CID 97270377
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
2,6,8-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70750036
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
6-methyl-2-(3-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332517
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide (CID 50765976) is 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)NCCCc3ccccc3)c2c1.
What is the InChIKey of 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide?
The InChIKey is DXFJQDMJSMIOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-12-16(2)21-19(13-15)20(14-17(3)24-21)22(25)23-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,23,25).
What are the key properties of 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide?
2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 50765976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).