2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline

C19H17N3O2 — CID 54017796

IUPAC2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline
SMILESCOc1ccc2nc(Oc3ccc4[nH]c(C)c(C)c4c3)ncc2c1
InChIInChI=1S/C19H17N3O2/c1-11-12(2)21-18-7-5-15(9-16(11)18)24-19-20-10-13-8-14(23-3)4-6-17(13)22-19/h4-10,21H,1-3H3
InChIKeyKWULDLITARSAEO-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.53
Rot. Bonds3

About 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline

2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline (PubChem CID 54017796) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline.

Molecular Properties

Compound Name2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline
PubChem CID54017796
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline
SMILESCOc1ccc2nc(Oc3ccc4[nH]c(C)c(C)c4c3)ncc2c1
InChIInChI=1S/C19H17N3O2/c1-11-12(2)21-18-7-5-15(9-16(11)18)24-19-20-10-13-8-14(23-3)4-6-17(13)22-19/h4-10,21H,1-3H3
InChIKeyKWULDLITARSAEO-UHFFFAOYSA-N
XLogP4.53
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one
CID 141070020
6-methoxy-2-(5-methoxy-2-methyl-1H-indol-3-yl)quinoline
CID 18729716
6-methoxy-2-methylquinazoline
CID 54578216
[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate
CID 129175808
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
6-methoxy-2-(2-methyl-1H-indol-3-yl)quinoline
CID 18729714
8-methoxy-2-methylthieno[2,3-c]quinoline
CID 141424177
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline?
The IUPAC name of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline (CID 54017796) is 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline.
What is the SMILES notation for 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline?
The canonical SMILES for 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline is COc1ccc2nc(Oc3ccc4[nH]c(C)c(C)c4c3)ncc2c1.
What is the InChIKey of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline?
The InChIKey is KWULDLITARSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-12(2)21-18-7-5-15(9-16(11)18)24-19-20-10-13-8-14(23-3)4-6-17(13)22-19/h4-10,21H,1-3H3.
What are the key properties of 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline?
2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline has a molecular weight of 319.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxyquinazoline is sourced from PubChem (CID 54017796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).