1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one

C24H20N2O3 — CID 172560964

IUPAC1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(N2CN(c3ccccc3)Cc3c2c2ccccc2oc3=O)cc1
InChIInChI=1S/C24H20N2O3/c1-28-19-13-11-18(12-14-19)26-16-25(17-7-3-2-4-8-17)15-21-23(26)20-9-5-6-10-22(20)29-24(21)27/h2-14H,15-16H2,1H3
InChIKeyUHZIUAPEYYVRDQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.92
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one

1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one (PubChem CID 172560964) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
PubChem CID172560964
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
SMILESCOc1ccc(N2CN(c3ccccc3)Cc3c2c2ccccc2oc3=O)cc1
InChIInChI=1S/C24H20N2O3/c1-28-19-13-11-18(12-14-19)26-16-25(17-7-3-2-4-8-17)15-21-23(26)20-9-5-6-10-22(20)29-24(21)27/h2-14H,15-16H2,1H3
InChIKeyUHZIUAPEYYVRDQ-UHFFFAOYSA-N
XLogP4.92
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560960
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 23004569
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(4-methoxyphenyl)-3-methylchromeno[4,3-b]pyrrol-4-one
CID 164681987
2-methylidene-1-phenyl-3H-chromeno[4,3-b]pyrrol-4-one
CID 164681985
3-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)chromen-2-one
CID 134145628
13-(4-methoxyphenyl)-8-oxa-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 132849199
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
1,3-bis(4-methoxyphenyl)-5-(phenylmethoxymethylidene)-1,3-diazinane
CID 155934165
(5S)-2-(4-methoxyphenyl)-4,5,6,8-tetraphenyl-3,5-dihydro-1H-furo[3,4-e][1,3]diazepine
CID 139094838
3-[(E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]-3-methyliminoprop-1-enyl]-4-morpholin-4-ylchromen-2-one
CID 156600228

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one (CID 172560964) is 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one is COc1ccc(N2CN(c3ccccc3)Cc3c2c2ccccc2oc3=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
The InChIKey is UHZIUAPEYYVRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-19-13-11-18(12-14-19)26-16-25(17-7-3-2-4-8-17)15-21-23(26)20-9-5-6-10-22(20)29-24(21)27/h2-14H,15-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one has a molecular weight of 384.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172560964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).