2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one

C20H19N3O2 — CID 2880275

IUPAC2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one
SMILESCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21
InChIInChI=1S/C20H19N3O2/c1-3-23-17-11-7-5-8-13(17)15(20(23)25)12-18-21-16-10-6-4-9-14(16)19(24)22(18)2/h4-11,15H,3,12H2,1-2H3
InChIKeyCTOJEFBTRYBCST-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.63
Rot. Bonds3

About 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one

2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one (PubChem CID 2880275) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one
PubChem CID2880275
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one
SMILESCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21
InChIInChI=1S/C20H19N3O2/c1-3-23-17-11-7-5-8-13(17)15(20(23)25)12-18-21-16-10-6-4-9-14(16)19(24)22(18)2/h4-11,15H,3,12H2,1-2H3
InChIKeyCTOJEFBTRYBCST-UHFFFAOYSA-N
XLogP2.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one (CID 2880275) is 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one is CCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21.
What is the InChIKey of 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one?
The InChIKey is CTOJEFBTRYBCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-23-17-11-7-5-8-13(17)15(20(23)25)12-18-21-16-10-6-4-9-14(16)19(24)22(18)2/h4-11,15H,3,12H2,1-2H3.
What are the key properties of 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one?
2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 2880275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).