3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone

C23H24N4O — CID 112851301

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCCc3ccccc32)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-2-14-24-21-16-19(25-22(26-21)18-10-4-3-5-11-18)23(28)27-15-8-12-17-9-6-7-13-20(17)27/h3-7,9-11,13,16H,2,8,12,14-15H2,1H3,(H,24,25,26)
InChIKeyKNOWUFMACQSZMC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.56
Rot. Bonds5

About 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone (PubChem CID 112851301) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
PubChem CID112851301
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
SMILESCCCNc1cc(C(=O)N2CCCc3ccccc32)nc(-c2ccccc2)n1
InChIInChI=1S/C23H24N4O/c1-2-14-24-21-16-19(25-22(26-21)18-10-4-3-5-11-18)23(28)27-15-8-12-17-9-6-7-13-20(17)27/h3-7,9-11,13,16H,2,8,12,14-15H2,1H3,(H,24,25,26)
InChIKeyKNOWUFMACQSZMC-UHFFFAOYSA-N
XLogP4.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

morpholin-4-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851244
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109369586
3,4-dihydro-2H-quinolin-1-yl-[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109365746
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342821
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860
[6-(butylamino)-2-phenylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 112852230
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
3,4-dihydro-2H-quinolin-1-yl-[6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109370230
3,4-dihydro-2H-quinolin-1-yl-(6-phenylpyrazin-2-yl)methanone
CID 171431136
[2-(butylamino)pyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109296398
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone (CID 112851301) is 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone is CCCNc1cc(C(=O)N2CCCc3ccccc32)nc(-c2ccccc2)n1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
The InChIKey is KNOWUFMACQSZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-14-24-21-16-19(25-22(26-21)18-10-4-3-5-11-18)23(28)27-15-8-12-17-9-6-7-13-20(17)27/h3-7,9-11,13,16H,2,8,12,14-15H2,1H3,(H,24,25,26).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 112851301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).