6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline

C31H22N4 — CID 10321526

IUPAC6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline
SMILESCN1c2ccccc2-c2cc3ccccc3n2C1c1nc2ccccc2c2cc3ccccc3n12
InChIInChI=1S/C31H22N4/c1-33-27-17-9-5-13-23(27)29-19-21-11-3-8-16-26(21)35(29)31(33)30-32-24-14-6-4-12-22(24)28-18-20-10-2-7-15-25(20)34(28)30/h2-19,31H,1H3
InChIKeyZSPTZQJRVVIDBH-UHFFFAOYSA-N
MW450.55 g/mol
LogP7.26
Rot. Bonds1

About 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline

6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline (PubChem CID 10321526) has the molecular formula C31H22N4 and a molecular weight of 450.55 g/mol. Its IUPAC name is 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline
PubChem CID10321526
Molecular FormulaC31H22N4
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline
SMILESCN1c2ccccc2-c2cc3ccccc3n2C1c1nc2ccccc2c2cc3ccccc3n12
InChIInChI=1S/C31H22N4/c1-33-27-17-9-5-13-23(27)29-19-21-11-3-8-16-26(21)35(29)31(33)30-32-24-14-6-4-12-22(24)28-18-20-10-2-7-15-25(20)34(28)30/h2-19,31H,1H3
InChIKeyZSPTZQJRVVIDBH-UHFFFAOYSA-N
XLogP7.26
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline?
The IUPAC name of 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline (CID 10321526) is 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline?
The canonical SMILES for 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline is CN1c2ccccc2-c2cc3ccccc3n2C1c1nc2ccccc2c2cc3ccccc3n12.
What is the InChIKey of 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline?
The InChIKey is ZSPTZQJRVVIDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4/c1-33-27-17-9-5-13-23(27)29-19-21-11-3-8-16-26(21)35(29)31(33)30-32-24-14-6-4-12-22(24)28-18-20-10-2-7-15-25(20)34(28)30/h2-19,31H,1H3.
What are the key properties of 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline?
6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline has a molecular weight of 450.55 g/mol, XLogP of 7.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-6H-indolo[1,2-c]quinazolin-6-yl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 10321526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).