1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one

C23H18N2O2 — CID 172560960

IUPAC1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
SMILESO=c1oc2ccccc2c2c1CN(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-23-20-15-24(17-9-3-1-4-10-17)16-25(18-11-5-2-6-12-18)22(20)19-13-7-8-14-21(19)27-23/h1-14H,15-16H2
InChIKeyKZWIYEIGIVPWIM-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.91
Rot. Bonds2

About 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one

1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one (PubChem CID 172560960) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
PubChem CID172560960
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
SMILESO=c1oc2ccccc2c2c1CN(c1ccccc1)CN2c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-23-20-15-24(17-9-3-1-4-10-17)16-25(18-11-5-2-6-12-18)22(20)19-13-7-8-14-21(19)27-23/h1-14H,15-16H2
InChIKeyKZWIYEIGIVPWIM-UHFFFAOYSA-N
XLogP4.91
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-phenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one
CID 172560964
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
2-phenyl-3H-[1]benzofuro[2,3-c]pyrrol-1-one
CID 171059840
4-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 54721006
1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
CID 13136922
5-methyl-6H-chromeno[4,3-c]isoquinolin-11-one
CID 11482438
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
3-amino-4-hydrazinylchromen-2-one
CID 158299605
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
4-amino-3-phenylchromen-2-one
CID 617040
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(pyrrolidin-1-ylmethyl)chromen-2-one
CID 23004569

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
The IUPAC name of 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one (CID 172560960) is 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
The canonical SMILES for 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one is O=c1oc2ccccc2c2c1CN(c1ccccc1)CN2c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
The InChIKey is KZWIYEIGIVPWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-23-20-15-24(17-9-3-1-4-10-17)16-25(18-11-5-2-6-12-18)22(20)19-13-7-8-14-21(19)27-23/h1-14H,15-16H2.
What are the key properties of 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one?
1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one has a molecular weight of 354.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2,4-dihydrochromeno[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172560960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).