2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide

C18H16N2O2 — CID 899162

IUPAC2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)19-18(21)15-11-17(22-2)20-16-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,21)
InChIKeyQGPGJEAQJNMKJX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.80
Rot. Bonds3

About 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide

2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 899162) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID899162
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(C)cc2)c2ccccc2n1
InChIInChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)19-18(21)15-11-17(22-2)20-16-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,21)
InChIKeyQGPGJEAQJNMKJX-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide (CID 899162) is 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide is COc1cc(C(=O)Nc2ccc(C)cc2)c2ccccc2n1.
What is the InChIKey of 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is QGPGJEAQJNMKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-9-13(10-8-12)19-18(21)15-11-17(22-2)20-16-6-4-3-5-14(15)16/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide?
2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 899162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).