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

C25H21N3O2 — CID 7275557

IUPAC(2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESCCOc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c1-2-30-20-14-12-17(13-15-20)24-27-23-21(16-18-8-6-7-11-22(18)26-23)25(29)28(24)19-9-4-3-5-10-19/h3-16,24H,2H2,1H3,(H,26,27)/t24-/m1/s1
InChIKeyANACMPXQQZIEMG-XMMPIXPASA-N
MW395.46 g/mol
LogP5.40
Rot. Bonds4

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

(2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (PubChem CID 7275557) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
PubChem CID7275557
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESCCOc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c1-2-30-20-14-12-17(13-15-20)24-27-23-21(16-18-8-6-7-11-22(18)26-23)25(29)28(24)19-9-4-3-5-10-19/h3-16,24H,2H2,1H3,(H,26,27)/t24-/m1/s1
InChIKeyANACMPXQQZIEMG-XMMPIXPASA-N
XLogP5.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (CID 7275557) is (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is CCOc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is ANACMPXQQZIEMG-XMMPIXPASA-N. The full InChI is InChI=1S/C25H21N3O2/c1-2-30-20-14-12-17(13-15-20)24-27-23-21(16-18-8-6-7-11-22(18)26-23)25(29)28(24)19-9-4-3-5-10-19/h3-16,24H,2H2,1H3,(H,26,27)/t24-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
(2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 395.46 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyphenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 7275557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).