2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide

C21H20N4O — CID 109313707

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C21H20N4O/c1-15-7-2-4-10-17(15)23-20(26)18-12-13-22-21(24-18)25-14-6-9-16-8-3-5-11-19(16)25/h2-5,7-8,10-13H,6,9,14H2,1H3,(H,23,26)
InChIKeyVZPJFHSUPIYJHQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.12
Rot. Bonds3

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313707) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313707
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(N2CCCc3ccccc32)n1
InChIInChI=1S/C21H20N4O/c1-15-7-2-4-10-17(15)23-20(26)18-12-13-22-21(24-18)25-14-6-9-16-8-3-5-11-19(16)25/h2-5,7-8,10-13H,6,9,14H2,1H3,(H,23,26)
InChIKeyVZPJFHSUPIYJHQ-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109314579
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109314422
2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314412
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302589
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109305878
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307644
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109313707) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1ccnc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is VZPJFHSUPIYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-7-2-4-10-17(15)23-20(26)18-12-13-22-21(24-18)25-14-6-9-16-8-3-5-11-19(16)25/h2-5,7-8,10-13H,6,9,14H2,1H3,(H,23,26).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).