1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide

C24H19N5O2 — CID 154840665

IUPAC1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
SMILESO=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C24H19N5O2/c30-22(27-28-24-25-20-9-5-4-8-19(20)23(31)26-24)18-10-11-21-17(14-18)12-13-29(21)15-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,30)(H2,25,26,28,31)
InChIKeyRWVPRAILBFDQCW-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide

1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide (PubChem CID 154840665) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
PubChem CID154840665
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
SMILESO=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C24H19N5O2/c30-22(27-28-24-25-20-9-5-4-8-19(20)23(31)26-24)18-10-11-21-17(14-18)12-13-29(21)15-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,30)(H2,25,26,28,31)
InChIKeyRWVPRAILBFDQCW-UHFFFAOYSA-N
XLogP3.68
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide (CID 154840665) is 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide is O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide?
The InChIKey is RWVPRAILBFDQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-22(27-28-24-25-20-9-5-4-8-19(20)23(31)26-24)18-10-11-21-17(14-18)12-13-29(21)15-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,30)(H2,25,26,28,31).
What are the key properties of 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide?
1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide has a molecular weight of 409.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide is sourced from PubChem (CID 154840665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).