2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide

C26H24N2O2 — CID 5197457

IUPAC2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)NCCc3ccccc3)c2C)cc1
InChIInChI=1S/C26H24N2O2/c1-18-24(26(29)27-17-16-19-8-4-3-5-9-19)22-10-6-7-11-23(22)28-25(18)20-12-14-21(30-2)15-13-20/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyMPLTXABHPDCOIH-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.19
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide

2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 5197457) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID5197457
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)NCCc3ccccc3)c2C)cc1
InChIInChI=1S/C26H24N2O2/c1-18-24(26(29)27-17-16-19-8-4-3-5-9-19)22-10-6-7-11-23(22)28-25(18)20-12-14-21(30-2)15-13-20/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyMPLTXABHPDCOIH-UHFFFAOYSA-N
XLogP5.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
methyl 5-(dimethylcarbamoyl)-2-[[2-(4-methoxyphenyl)-3-methylquinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 3582535
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-(2-chloro-3-pyridinyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4189374

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide (CID 5197457) is 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)NCCc3ccccc3)c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is MPLTXABHPDCOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-24(26(29)27-17-16-19-8-4-3-5-9-19)22-10-6-7-11-23(22)28-25(18)20-12-14-21(30-2)15-13-20/h3-15H,16-17H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 5197457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).