N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide

C21H19ClN4O — CID 112848780

IUPACN-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2)cc(N2CCCc3ccccc32)n1
InChIInChI=1S/C21H19ClN4O/c1-14-23-18(21(27)25-17-9-4-8-16(22)12-17)13-20(24-14)26-11-5-7-15-6-2-3-10-19(15)26/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,25,27)
InChIKeyVUZWOYLJCTWQND-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.78
Rot. Bonds3

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

N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848780) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID112848780
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC NameN-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2)cc(N2CCCc3ccccc32)n1
InChIInChI=1S/C21H19ClN4O/c1-14-23-18(21(27)25-17-9-4-8-16(22)12-17)13-20(24-14)26-11-5-7-15-6-2-3-10-19(15)26/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,25,27)
InChIKeyVUZWOYLJCTWQND-UHFFFAOYSA-N
XLogP4.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.78
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)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848790
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
6-(2,3-dihydroindol-1-yl)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848687
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109364580
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 112848780) is N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc(Cl)c2)cc(N2CCCc3ccccc32)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is VUZWOYLJCTWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-14-23-18(21(27)25-17-9-4-8-16(22)12-17)13-20(24-14)26-11-5-7-15-6-2-3-10-19(15)26/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).