6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide

C19H16BrN5O2 — CID 46604334

IUPAC6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc3ccc(Br)cc3[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C19H16BrN5O2/c1-2-25-18(27)13-5-3-4-6-14(13)22-19(25)24-23-17(26)16-9-11-7-8-12(20)10-15(11)21-16/h3-10,21H,2H2,1H3,(H,22,24)(H,23,26)
InChIKeyFEMBNNCUQNPCIO-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.42
Rot. Bonds4

About 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide

6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide (PubChem CID 46604334) has the molecular formula C19H16BrN5O2 and a molecular weight of 426.27 g/mol. Its IUPAC name is 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide
PubChem CID46604334
Molecular FormulaC19H16BrN5O2
Molecular Weight426.27 g/mol
Exact Mass425.05
IUPAC Name6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2cc3ccc(Br)cc3[nH]2)nc2ccccc2c1=O
InChIInChI=1S/C19H16BrN5O2/c1-2-25-18(27)13-5-3-4-6-14(13)22-19(25)24-23-17(26)16-9-11-7-8-12(20)10-15(11)21-16/h3-10,21H,2H2,1H3,(H,22,24)(H,23,26)
InChIKeyFEMBNNCUQNPCIO-UHFFFAOYSA-N
XLogP3.42
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
CID 55940700
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18139314
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
CID 24598230

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide?
The IUPAC name of 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide (CID 46604334) is 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide is CCn1c(NNC(=O)c2cc3ccc(Br)cc3[nH]2)nc2ccccc2c1=O.
What is the InChIKey of 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide?
The InChIKey is FEMBNNCUQNPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O2/c1-2-25-18(27)13-5-3-4-6-14(13)22-19(25)24-23-17(26)16-9-11-7-8-12(20)10-15(11)21-16/h3-10,21H,2H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide?
6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide has a molecular weight of 426.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 46604334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).