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

C20H20N2O2 — CID 2530477

IUPACN-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-24-17-11-8-15(9-12-17)14-22(2)20(23)19-13-10-16-6-4-5-7-18(16)21-19/h4-13H,3,14H2,1-2H3
InChIKeyJBZLHQAJUBIDMK-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.91
Rot. Bonds5

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

N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide (PubChem CID 2530477) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
PubChem CID2530477
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2/c1-3-24-17-11-8-15(9-12-17)14-22(2)20(23)19-13-10-16-6-4-5-7-18(16)21-19/h4-13H,3,14H2,1-2H3
InChIKeyJBZLHQAJUBIDMK-UHFFFAOYSA-N
XLogP3.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide (CID 2530477) is N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide is CCOc1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide?
The InChIKey is JBZLHQAJUBIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-24-17-11-8-15(9-12-17)14-22(2)20(23)19-13-10-16-6-4-5-7-18(16)21-19/h4-13H,3,14H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 2530477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).