7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C25H21N3O2 — CID 99578164

IUPAC7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCc4cc(-c5ccccc5)ccc43)c(=O)n2c1
InChIInChI=1S/C25H21N3O2/c1-17-9-12-23-26-15-21(25(30)28(23)16-17)24(29)27-13-5-8-20-14-19(10-11-22(20)27)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3
InChIKeyWUZAIUAFRPWNCS-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.26
Rot. Bonds2

About 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 99578164) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID99578164
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCCc4cc(-c5ccccc5)ccc43)c(=O)n2c1
InChIInChI=1S/C25H21N3O2/c1-17-9-12-23-26-15-21(25(30)28(23)16-17)24(29)27-13-5-8-20-14-19(10-11-22(20)27)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3
InChIKeyWUZAIUAFRPWNCS-UHFFFAOYSA-N
XLogP4.26
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134021810
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19504620
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119592865
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120749650
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
3-(3-aminopiperidine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119377302
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 119631055
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119631054
3-(2,3-dimethylpiperazine-1-carbonyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120573008

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 99578164) is 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCCc4cc(-c5ccccc5)ccc43)c(=O)n2c1.
What is the InChIKey of 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WUZAIUAFRPWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-9-12-23-26-15-21(25(30)28(23)16-17)24(29)27-13-5-8-20-14-19(10-11-22(20)27)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-16H,5,8,13H2,1H3.
What are the key properties of 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(6-phenyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 99578164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).