N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide

C21H19ClN4O2 — CID 109266324

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCc4ccccc43)nc2)cc1Cl
InChIInChI=1S/C21H19ClN4O2/c1-28-19-9-8-16(11-17(19)22)25-20(27)15-12-23-21(24-13-15)26-10-4-6-14-5-2-3-7-18(14)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,25,27)
InChIKeyOIXSUQOMNJAPAM-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.48
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109266324) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
PubChem CID109266324
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCc4ccccc43)nc2)cc1Cl
InChIInChI=1S/C21H19ClN4O2/c1-28-19-9-8-16(11-17(19)22)25-20(27)15-12-23-21(24-13-15)26-10-4-6-14-5-2-3-7-18(14)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,25,27)
InChIKeyOIXSUQOMNJAPAM-UHFFFAOYSA-N
XLogP4.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-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-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266359
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219601
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264466
N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266171
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 84570395
N-(3-chloro-4-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162396
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide (CID 109266324) is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCCc4ccccc43)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is OIXSUQOMNJAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-28-19-9-8-16(11-17(19)22)25-20(27)15-12-23-21(24-13-15)26-10-4-6-14-5-2-3-7-18(14)26/h2-3,5,7-9,11-13H,4,6,10H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).