2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one

C23H16N4O2 — CID 11245968

IUPAC2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H16N4O2/c1-15-24-19-13-7-5-11-17(19)22(28)26(15)27-21(16-9-3-2-4-10-16)25-20-14-8-6-12-18(20)23(27)29/h2-14H,1H3
InChIKeyNCAKTVCTUKVKHH-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one

2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one (PubChem CID 11245968) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
PubChem CID11245968
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-n1c(-c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C23H16N4O2/c1-15-24-19-13-7-5-11-17(19)22(28)26(15)27-21(16-9-3-2-4-10-16)25-20-14-8-6-12-18(20)23(27)29/h2-14H,1H3
InChIKeyNCAKTVCTUKVKHH-UHFFFAOYSA-N
XLogP3.39
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one (CID 11245968) is 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1-n1c(-c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one?
The InChIKey is NCAKTVCTUKVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-15-24-19-13-7-5-11-17(19)22(28)26(15)27-21(16-9-3-2-4-10-16)25-20-14-8-6-12-18(20)23(27)29/h2-14H,1H3.
What are the key properties of 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one?
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one has a molecular weight of 380.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one is sourced from PubChem (CID 11245968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).