N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

C28H28N2O2 — CID 3681950

IUPACN-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C28H28N2O2/c1-5-19-10-9-11-20(6-2)27(19)30-28(31)25-18(3)26(21-14-16-22(32-4)17-15-21)29-24-13-8-7-12-23(24)25/h7-17H,5-6H2,1-4H3,(H,30,31)
InChIKeyWDZFITYZOOQNLL-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.60
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (PubChem CID 3681950) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
PubChem CID3681950
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C28H28N2O2/c1-5-19-10-9-11-20(6-2)27(19)30-28(31)25-18(3)26(21-14-16-22(32-4)17-15-21)29-24-13-8-7-12-23(24)25/h7-17H,5-6H2,1-4H3,(H,30,31)
InChIKeyWDZFITYZOOQNLL-UHFFFAOYSA-N
XLogP6.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
2-(4-methoxyphenyl)-3-methyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 3479572
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 1291424
N-(2-chloro-3-pyridinyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4189374
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
N-(4-bromo-2-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4617189

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (CID 3681950) is N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is WDZFITYZOOQNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-5-19-10-9-11-20(6-2)27(19)30-28(31)25-18(3)26(21-14-16-22(32-4)17-15-21)29-24-13-8-7-12-23(24)25/h7-17H,5-6H2,1-4H3,(H,30,31).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 3681950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).