N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide

C26H24N2O3 — CID 46334715

IUPACN-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)cc(OC)c1
InChIInChI=1S/C26H24N2O3/c1-16-8-10-18(11-9-16)22-6-5-7-23-24(12-17(2)27-25(22)23)26(29)28-19-13-20(30-3)15-21(14-19)31-4/h5-15H,1-4H3,(H,28,29)
InChIKeyKZENABDKMUSZFG-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.79
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide

N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 46334715) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID46334715
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)cc(OC)c1
InChIInChI=1S/C26H24N2O3/c1-16-8-10-18(11-9-16)22-6-5-7-23-24(12-17(2)27-25(22)23)26(29)28-19-13-20(30-3)15-21(14-19)31-4/h5-15H,1-4H3,(H,28,29)
InChIKeyKZENABDKMUSZFG-UHFFFAOYSA-N
XLogP5.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide (CID 46334715) is N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide is COc1cc(NC(=O)c2cc(C)nc3c(-c4ccc(C)cc4)cccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is KZENABDKMUSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-16-8-10-18(11-9-16)22-6-5-7-23-24(12-17(2)27-25(22)23)26(29)28-19-13-20(30-3)15-21(14-19)31-4/h5-15H,1-4H3,(H,28,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide?
N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-methyl-8-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 46334715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).