N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide

C20H20N2O2 — CID 4883107

IUPACN-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-13-12-17(16-9-4-6-10-18(16)21-13)20(23)22-14(2)15-8-5-7-11-19(15)24-3/h4-12,14H,1-3H3,(H,22,23)
InChIKeyVVYBQKJECYPDRP-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide (PubChem CID 4883107) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
PubChem CID4883107
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-13-12-17(16-9-4-6-10-18(16)21-13)20(23)22-14(2)15-8-5-7-11-19(15)24-3/h4-12,14H,1-3H3,(H,22,23)
InChIKeyVVYBQKJECYPDRP-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-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

N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-[1-(2-methoxyphenyl)ethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 42922646
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648552
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512762

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide (CID 4883107) is N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide is COc1ccccc1C(C)NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is VVYBQKJECYPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-12-17(16-9-4-6-10-18(16)21-13)20(23)22-14(2)15-8-5-7-11-19(15)24-3/h4-12,14H,1-3H3,(H,22,23).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 4883107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).