N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

C19H18N2O2 — CID 2713353

IUPACN-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13-11-16(15-8-4-5-9-17(15)21-13)19(22)20-12-14-7-3-6-10-18(14)23-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyHYQMJKNVWGXRAV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.48
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 2713353) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID2713353
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-13-11-16(15-8-4-5-9-17(15)21-13)19(22)20-12-14-7-3-6-10-18(14)23-2/h3-11H,12H2,1-2H3,(H,20,22)
InChIKeyHYQMJKNVWGXRAV-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (CID 2713353) is N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is HYQMJKNVWGXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-11-16(15-8-4-5-9-17(15)21-13)19(22)20-12-14-7-3-6-10-18(14)23-2/h3-11H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-methylquinoline-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 N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2713353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).