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

C23H22N4O2 — CID 112848790

IUPACN-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N3CCCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C23H22N4O2/c1-15(28)17-9-11-19(12-10-17)26-23(29)20-14-22(25-16(2)24-20)27-13-5-7-18-6-3-4-8-21(18)27/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,26,29)
InChIKeyPJMVUOUXMQJOEL-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.32
Rot. Bonds4

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

N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848790) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID112848790
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N3CCCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C23H22N4O2/c1-15(28)17-9-11-19(12-10-17)26-23(29)20-14-22(25-16(2)24-20)27-13-5-7-18-6-3-4-8-21(18)27/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,26,29)
InChIKeyPJMVUOUXMQJOEL-UHFFFAOYSA-N
XLogP4.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848780
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698
4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193280
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848658
N-(4-acetylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366970
[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-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
N-(3-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridazine-3-carboxamide
CID 109127449
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 N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 112848790) is N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(N3CCCc4ccccc43)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PJMVUOUXMQJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(28)17-9-11-19(12-10-17)26-23(29)20-14-22(25-16(2)24-20)27-13-5-7-18-6-3-4-8-21(18)27/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,26,29).
What are the key properties of N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).