3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one

C25H21N5O — CID 135729400

IUPAC3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H21N5O/c1-2-30-24(31)19-13-7-9-15-22(19)28-25(30)29-26-16-20-18-12-6-8-14-21(18)27-23(20)17-10-4-3-5-11-17/h3-16,27H,2H2,1H3,(H,28,29)/b26-16+
InChIKeyAQUIORCFWYCWQY-WGOQTCKBSA-N
MW407.48 g/mol
LogP5.01
Rot. Bonds5

About 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one

3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 135729400) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID135729400
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H21N5O/c1-2-30-24(31)19-13-7-9-15-22(19)28-25(30)29-26-16-20-18-12-6-8-14-21(18)27-23(20)17-10-4-3-5-11-17/h3-16,27H,2H2,1H3,(H,28,29)/b26-16+
InChIKeyAQUIORCFWYCWQY-WGOQTCKBSA-N
XLogP5.01
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one with MolForge

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Related Compounds

3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3125241
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 9296249
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 136852078
(5R)-5-methyl-5-phenyl-3-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
CID 135673737

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one (CID 135729400) is 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one is CCn1c(N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is AQUIORCFWYCWQY-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H21N5O/c1-2-30-24(31)19-13-7-9-15-22(19)28-25(30)29-26-16-20-18-12-6-8-14-21(18)27-23(20)17-10-4-3-5-11-17/h3-16,27H,2H2,1H3,(H,28,29)/b26-16+.
What are the key properties of 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one?
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 407.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 135729400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).