3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide

C19H18N2O2 — CID 110850751

IUPAC3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cnc2ccccc2c1C(=O)NCc1ccccc1C
InChIInChI=1S/C19H18N2O2/c1-13-7-3-4-8-14(13)11-21-19(22)18-15-9-5-6-10-16(15)20-12-17(18)23-2/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyNJULIMBGWXVSIY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds4

About 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide

3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 110850751) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
PubChem CID110850751
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCOc1cnc2ccccc2c1C(=O)NCc1ccccc1C
InChIInChI=1S/C19H18N2O2/c1-13-7-3-4-8-14(13)11-21-19(22)18-15-9-5-6-10-16(15)20-12-17(18)23-2/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyNJULIMBGWXVSIY-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-prop-2-enylquinoline-4-carboxamide
CID 110848197
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxyquinoline-4-carboxamide
CID 110851796
3-methoxy-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 110859914
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
N,N-diethyl-3-methoxyquinoline-4-carboxamide
CID 110855209
N-[(2-methylphenyl)methyl]quinoxaline-2-carboxamide
CID 17418457
4,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850738
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide (CID 110850751) is 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide is COc1cnc2ccccc2c1C(=O)NCc1ccccc1C.
What is the InChIKey of 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is NJULIMBGWXVSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-7-3-4-8-14(13)11-21-19(22)18-15-9-5-6-10-16(15)20-12-17(18)23-2/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide?
3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 110850751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).