2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one

C24H19N3O2 — CID 581822

IUPAC2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESCOc1ccc(C2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-19-13-11-16(12-14-19)23-26-22-20(15-17-7-5-6-10-21(17)25-22)24(28)27(23)18-8-3-2-4-9-18/h2-15,23H,1H3,(H,25,26)
InChIKeyPJGYXTYULLBTEH-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.01
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one

2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (PubChem CID 581822) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
PubChem CID581822
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESCOc1ccc(C2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H19N3O2/c1-29-19-13-11-16(12-14-19)23-26-22-20(15-17-7-5-6-10-21(17)25-22)24(28)27(23)18-8-3-2-4-9-18/h2-15,23H,1H3,(H,25,26)
InChIKeyPJGYXTYULLBTEH-UHFFFAOYSA-N
XLogP5.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (CID 581822) is 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is COc1ccc(C2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is PJGYXTYULLBTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-19-13-11-16(12-14-19)23-26-22-20(15-17-7-5-6-10-21(17)25-22)24(28)27(23)18-8-3-2-4-9-18/h2-15,23H,1H3,(H,25,26).
What are the key properties of 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 381.44 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 581822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).