4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one

C19H17N3O3 — CID 141070020

IUPAC4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one
SMILESCOc1ccc2[nH]c(=O)nc(Oc3ccc4[nH]c(C)c(C)c4c3)c2c1
InChIInChI=1S/C19H17N3O3/c1-10-11(2)20-16-7-5-13(9-14(10)16)25-18-15-8-12(24-3)4-6-17(15)21-19(23)22-18/h4-9,20H,1-3H3,(H,21,22,23)
InChIKeyUYGKAMUOOXUXBL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.82
Rot. Bonds3

About 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one

4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one (PubChem CID 141070020) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one
PubChem CID141070020
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one
SMILESCOc1ccc2[nH]c(=O)nc(Oc3ccc4[nH]c(C)c(C)c4c3)c2c1
InChIInChI=1S/C19H17N3O3/c1-10-11(2)20-16-7-5-13(9-14(10)16)25-18-15-8-12(24-3)4-6-17(15)21-19(23)22-18/h4-9,20H,1-3H3,(H,21,22,23)
InChIKeyUYGKAMUOOXUXBL-UHFFFAOYSA-N
XLogP3.82
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline
CID 54017796
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate
CID 129175808
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
4-[(2-methyl-1H-indol-6-yl)oxy]-1H-quinazolin-2-one
CID 141111536
6-fluoro-4-methoxy-1H-quinazolin-2-one
CID 84773047
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
CID 11218944
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one?
The IUPAC name of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one (CID 141070020) is 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one.
What is the SMILES notation for 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one?
The canonical SMILES for 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one is COc1ccc2[nH]c(=O)nc(Oc3ccc4[nH]c(C)c(C)c4c3)c2c1.
What is the InChIKey of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one?
The InChIKey is UYGKAMUOOXUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-10-11(2)20-16-7-5-13(9-14(10)16)25-18-15-8-12(24-3)4-6-17(15)21-19(23)22-18/h4-9,20H,1-3H3,(H,21,22,23).
What are the key properties of 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one?
4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one has a molecular weight of 335.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one is sourced from PubChem (CID 141070020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).