4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline

C18H14BrN3O2 — CID 11696664

IUPAC4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(-c3c[nH]c4ccc(Br)cc34)c2cc1OC
InChIInChI=1S/C18H14BrN3O2/c1-23-16-6-12-15(7-17(16)24-2)21-9-22-18(12)13-8-20-14-4-3-10(19)5-11(13)14/h3-9,20H,1-2H3
InChIKeyMWBJNWJINFGNLQ-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.56
Rot. Bonds3

About 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline

4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline (PubChem CID 11696664) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline
PubChem CID11696664
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(-c3c[nH]c4ccc(Br)cc34)c2cc1OC
InChIInChI=1S/C18H14BrN3O2/c1-23-16-6-12-15(7-17(16)24-2)21-9-22-18(12)13-8-20-14-4-3-10(19)5-11(13)14/h3-9,20H,1-2H3
InChIKeyMWBJNWJINFGNLQ-UHFFFAOYSA-N
XLogP4.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline (CID 11696664) is 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline is COc1cc2ncnc(-c3c[nH]c4ccc(Br)cc34)c2cc1OC.
What is the InChIKey of 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
The InChIKey is MWBJNWJINFGNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-23-16-6-12-15(7-17(16)24-2)21-9-22-18(12)13-8-20-14-4-3-10(19)5-11(13)14/h3-9,20H,1-2H3.
What are the key properties of 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline?
4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline has a molecular weight of 384.23 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 11696664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).