8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one

C24H16N2O3 — CID 24661852

IUPAC8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one
SMILESCc1c(Oc2ncnc3ccccc23)ccc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C24H16N2O3/c1-15-21(28-24-18-9-5-6-10-20(18)25-14-26-24)12-11-17-19(13-22(27)29-23(15)17)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyIMSUJZPTELOPBM-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.50
Rot. Bonds3

About 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one

8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one (PubChem CID 24661852) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one.

Molecular Properties

Compound Name8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one
PubChem CID24661852
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one
SMILESCc1c(Oc2ncnc3ccccc23)ccc2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C24H16N2O3/c1-15-21(28-24-18-9-5-6-10-20(18)25-14-26-24)12-11-17-19(13-22(27)29-23(15)17)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyIMSUJZPTELOPBM-UHFFFAOYSA-N
XLogP5.50
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one?
The IUPAC name of 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one (CID 24661852) is 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one.
What is the SMILES notation for 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one?
The canonical SMILES for 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one is Cc1c(Oc2ncnc3ccccc23)ccc2c(-c3ccccc3)cc(=O)oc12.
What is the InChIKey of 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one?
The InChIKey is IMSUJZPTELOPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c1-15-21(28-24-18-9-5-6-10-20(18)25-14-26-24)12-11-17-19(13-22(27)29-23(15)17)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one?
8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one has a molecular weight of 380.40 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-phenyl-7-quinazolin-4-yloxychromen-2-one is sourced from PubChem (CID 24661852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).