6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide

C21H20N4O — CID 109356271

IUPAC6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCCc4ccccc43)ncn2)cc1
InChIInChI=1S/C21H20N4O/c1-15-8-10-17(11-9-15)24-21(26)18-13-20(23-14-22-18)25-12-4-6-16-5-2-3-7-19(16)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,24,26)
InChIKeyOALRLOZRLYTUEV-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.12
Rot. Bonds3

About 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356271) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109356271
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CCCc4ccccc43)ncn2)cc1
InChIInChI=1S/C21H20N4O/c1-15-8-10-17(11-9-15)24-21(26)18-13-20(23-14-22-18)25-12-4-6-16-5-2-3-7-19(16)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,24,26)
InChIKeyOALRLOZRLYTUEV-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

6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
N-[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865139
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848790
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109356271) is 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(N3CCCc4ccccc43)ncn2)cc1.
What is the InChIKey of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OALRLOZRLYTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-8-10-17(11-9-15)24-21(26)18-13-20(23-14-22-18)25-12-4-6-16-5-2-3-7-19(16)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,24,26).
What are the key properties of 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-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 6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).