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

C25H23N3O2 — CID 5014044

IUPACN-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C25H23N3O2/c1-17-9-3-6-12-21(17)27-24-15-20(19-11-5-7-13-22(19)28-24)25(29)26-16-18-10-4-8-14-23(18)30-2/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMMCSZNQOOLWNAV-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.23
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide (PubChem CID 5014044) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
PubChem CID5014044
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C25H23N3O2/c1-17-9-3-6-12-21(17)27-24-15-20(19-11-5-7-13-22(19)28-24)25(29)26-16-18-10-4-8-14-23(18)30-2/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMMCSZNQOOLWNAV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10201497
CID 10201497
CID 10760609
CID 10760609
CID 15987645
CID 15987645
CID 2093012
CID 2093012
CID 4915921
CID 4915921
CID 4219491
CID 4219491
CID 12005317
CID 12005317
CID 15987793
CID 15987793
CID 44403736
CID 44403736
CID 44403742
CID 44403742
CID 4147575
CID 4147575
CID 71458258
CID 71458258

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide (CID 5014044) is N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide is COc1ccccc1CNC(=O)c1cc(Nc2ccccc2C)nc2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
The InChIKey is MMCSZNQOOLWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-9-3-6-12-21(17)27-24-15-20(19-11-5-7-13-22(19)28-24)25(29)26-16-18-10-4-8-14-23(18)30-2/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide?
N-[(2-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-[(2-methoxyphenyl)methyl]-2-(2-methylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 5014044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).