3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one

C19H17N3O2 — CID 86115872

IUPAC3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
SMILESCOc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O2/c1-24-19-21-17-9-5-3-7-15(17)18(23)22(19)11-10-13-12-20-16-8-4-2-6-14(13)16/h2-9,12,20H,10-11H2,1H3
InChIKeyOCXZOVVHFZCMFY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.13
Rot. Bonds4

About 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one

3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one (PubChem CID 86115872) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
PubChem CID86115872
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
SMILESCOc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O2/c1-24-19-21-17-9-5-3-7-15(17)18(23)22(19)11-10-13-12-20-16-8-4-2-6-14(13)16/h2-9,12,20H,10-11H2,1H3
InChIKeyOCXZOVVHFZCMFY-UHFFFAOYSA-N
XLogP3.13
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one with MolForge

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Related Compounds

3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one
CID 17038074
2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]propanoate
CID 55938364
6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
CID 90716219
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 1288214
4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione
CID 135142494
3-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
CID 14843028
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
CID 134268652
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276
7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione
CID 177374181

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one (CID 86115872) is 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one is COc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one?
The InChIKey is OCXZOVVHFZCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-19-21-17-9-5-3-7-15(17)18(23)22(19)11-10-13-12-20-16-8-4-2-6-14(13)16/h2-9,12,20H,10-11H2,1H3.
What are the key properties of 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one?
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one is sourced from PubChem (CID 86115872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).