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

C18H16N2O2 — CID 800754

IUPACN-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-15-9-6-13(7-10-15)12-19-18(21)17-11-8-14-4-2-3-5-16(14)20-17/h2-11H,12H2,1H3,(H,19,21)
InChIKeyDMWFTKKYRRMNFV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.17
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide (PubChem CID 800754) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide
PubChem CID800754
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O2/c1-22-15-9-6-13(7-10-15)12-19-18(21)17-11-8-14-4-2-3-5-16(14)20-17/h2-11H,12H2,1H3,(H,19,21)
InChIKeyDMWFTKKYRRMNFV-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide (CID 800754) is N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide is COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide?
The InChIKey is DMWFTKKYRRMNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-15-9-6-13(7-10-15)12-19-18(21)17-11-8-14-4-2-3-5-16(14)20-17/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide?
N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 800754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).