4-indol-1-yl-6-(1H-indol-5-yl)quinazoline

C24H16N4 — CID 155510941

IUPAC4-indol-1-yl-6-(1H-indol-5-yl)quinazoline
SMILESc1ccc2c(c1)ccn2-c1ncnc2ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C24H16N4/c1-2-4-23-16(3-1)10-12-28(23)24-20-14-18(6-8-22(20)26-15-27-24)17-5-7-21-19(13-17)9-11-25-21/h1-15,25H
InChIKeyAJOKVDLVLNSTBJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.72
Rot. Bonds2

About 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline

4-indol-1-yl-6-(1H-indol-5-yl)quinazoline (PubChem CID 155510941) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline.

Molecular Properties

Compound Name4-indol-1-yl-6-(1H-indol-5-yl)quinazoline
PubChem CID155510941
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name4-indol-1-yl-6-(1H-indol-5-yl)quinazoline
SMILESc1ccc2c(c1)ccn2-c1ncnc2ccc(-c3ccc4[nH]ccc4c3)cc12
InChIInChI=1S/C24H16N4/c1-2-4-23-16(3-1)10-12-28(23)24-20-14-18(6-8-22(20)26-15-27-24)17-5-7-21-19(13-17)9-11-25-21/h1-15,25H
InChIKeyAJOKVDLVLNSTBJ-UHFFFAOYSA-N
XLogP5.72
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline?
The IUPAC name of 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline (CID 155510941) is 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline.
What is the SMILES notation for 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline?
The canonical SMILES for 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline is c1ccc2c(c1)ccn2-c1ncnc2ccc(-c3ccc4[nH]ccc4c3)cc12.
What is the InChIKey of 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline?
The InChIKey is AJOKVDLVLNSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4/c1-2-4-23-16(3-1)10-12-28(23)24-20-14-18(6-8-22(20)26-15-27-24)17-5-7-21-19(13-17)9-11-25-21/h1-15,25H.
What are the key properties of 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline?
4-indol-1-yl-6-(1H-indol-5-yl)quinazoline has a molecular weight of 360.42 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-6-(1H-indol-5-yl)quinazoline is sourced from PubChem (CID 155510941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).