4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile

C19H15N3O — CID 22278598

IUPAC4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile
SMILESN#CCCCc1c2ccccc2n2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C19H15N3O/c20-12-6-5-8-14-13-7-1-3-10-16(13)22-17-11-4-2-9-15(17)19(23)21-18(14)22/h1-4,7,9-11H,5-6,8H2,(H,21,23)
InChIKeySFUZFLOOBHSINO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.78
Rot. Bonds3

About 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile

4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile (PubChem CID 22278598) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile.

Molecular Properties

Compound Name4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile
PubChem CID22278598
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile
SMILESN#CCCCc1c2ccccc2n2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C19H15N3O/c20-12-6-5-8-14-13-7-1-3-10-16(13)22-17-11-4-2-9-15(17)19(23)21-18(14)22/h1-4,7,9-11H,5-6,8H2,(H,21,23)
InChIKeySFUZFLOOBHSINO-UHFFFAOYSA-N
XLogP3.78
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile?
The IUPAC name of 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile (CID 22278598) is 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile.
What is the SMILES notation for 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile?
The canonical SMILES for 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile is N#CCCCc1c2ccccc2n2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile?
The InChIKey is SFUZFLOOBHSINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-12-6-5-8-14-13-7-1-3-10-16(13)22-17-11-4-2-9-15(17)19(23)21-18(14)22/h1-4,7,9-11H,5-6,8H2,(H,21,23).
What are the key properties of 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile?
4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile has a molecular weight of 301.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)butanenitrile is sourced from PubChem (CID 22278598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).