4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one

C23H15N3O3 — CID 1190223

IUPAC4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc12
InChIInChI=1S/C23H15N3O3/c1-14-11-21(27)29-20-12-16(8-9-17(14)20)28-23-18-6-2-3-7-19(18)25-22(26-23)15-5-4-10-24-13-15/h2-13H,1H3
InChIKeyJRTCXMRYACWFNZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.90
Rot. Bonds3

About 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one

4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one (PubChem CID 1190223) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one
PubChem CID1190223
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC Name4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one
SMILESCc1cc(=O)oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc12
InChIInChI=1S/C23H15N3O3/c1-14-11-21(27)29-20-12-16(8-9-17(14)20)28-23-18-6-2-3-7-19(18)25-22(26-23)15-5-4-10-24-13-15/h2-13H,1H3
InChIKeyJRTCXMRYACWFNZ-UHFFFAOYSA-N
XLogP4.90
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one?
The IUPAC name of 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one (CID 1190223) is 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one?
The canonical SMILES for 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one is Cc1cc(=O)oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc12.
What is the InChIKey of 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one?
The InChIKey is JRTCXMRYACWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3/c1-14-11-21(27)29-20-12-16(8-9-17(14)20)28-23-18-6-2-3-7-19(18)25-22(26-23)15-5-4-10-24-13-15/h2-13H,1H3.
What are the key properties of 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one?
4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one has a molecular weight of 381.39 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-pyridin-3-ylquinazolin-4-yl)oxychromen-2-one is sourced from PubChem (CID 1190223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).