2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide

C23H24N4O2 — CID 109329190

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H24N4O2/c1-16-14-19(22(28)24-15-18-9-4-6-12-21(18)29-2)26-23(25-16)27-13-7-10-17-8-3-5-11-20(17)27/h3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3,(H,24,28)
InChIKeyFUDJITJUYXJQEM-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.81
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329190) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109329190
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(C)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H24N4O2/c1-16-14-19(22(28)24-15-18-9-4-6-12-21(18)29-2)26-23(25-16)27-13-7-10-17-8-3-5-11-20(17)27/h3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3,(H,24,28)
InChIKeyFUDJITJUYXJQEM-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332521
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171028
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
2-[benzyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328208
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 112918466
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109329190) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide is COc1ccccc1CNC(=O)c1cc(C)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is FUDJITJUYXJQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-14-19(22(28)24-15-18-9-4-6-12-21(18)29-2)26-23(25-16)27-13-7-10-17-8-3-5-11-20(17)27/h3-6,8-9,11-12,14H,7,10,13,15H2,1-2H3,(H,24,28).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).