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

C25H23N3O2 — CID 15990850

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccccc3C)nc3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-17-7-3-5-9-22(17)27-24-15-21(20-8-4-6-10-23(20)28-24)25(29)26-16-18-11-13-19(30-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGEAZREXDWSRROR-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.23
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide (PubChem CID 15990850) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
PubChem CID15990850
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccccc3C)nc3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-17-7-3-5-9-22(17)27-24-15-21(20-8-4-6-10-23(20)28-24)25(29)26-16-18-11-13-19(30-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGEAZREXDWSRROR-UHFFFAOYSA-N
XLogP5.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide (CID 15990850) is N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccccc3C)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
The InChIKey is GEAZREXDWSRROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-7-3-5-9-22(17)27-24-15-21(20-8-4-6-10-23(20)28-24)25(29)26-16-18-11-13-19(30-2)14-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).