3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one

C28H23N3O2 — CID 58186920

IUPAC3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one
SMILESCc1ncccc1Oc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(C)nc2c1
InChIInChI=1S/C28H23N3O2/c1-19-26(14-9-17-29-19)33-23-15-16-24-25(18-23)30-20(2)31(28(24)32)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-18,27H,1-2H3
InChIKeyMCCUJLRLADCYJU-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.84
Rot. Bonds5

About 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one

3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one (PubChem CID 58186920) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one.

Molecular Properties

Compound Name3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one
PubChem CID58186920
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one
SMILESCc1ncccc1Oc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(C)nc2c1
InChIInChI=1S/C28H23N3O2/c1-19-26(14-9-17-29-19)33-23-15-16-24-25(18-23)30-20(2)31(28(24)32)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-18,27H,1-2H3
InChIKeyMCCUJLRLADCYJU-UHFFFAOYSA-N
XLogP5.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one?
The IUPAC name of 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one (CID 58186920) is 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one.
What is the SMILES notation for 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one?
The canonical SMILES for 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one is Cc1ncccc1Oc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(C)nc2c1.
What is the InChIKey of 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one?
The InChIKey is MCCUJLRLADCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-19-26(14-9-17-29-19)33-23-15-16-24-25(18-23)30-20(2)31(28(24)32)27(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-18,27H,1-2H3.
What are the key properties of 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one?
3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one has a molecular weight of 433.51 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-methyl-7-[(2-methyl-3-pyridinyl)oxy]quinazolin-4-one is sourced from PubChem (CID 58186920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).