2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one

C22H21N7O — CID 9296249

IUPAC2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(N/N=C\C=C\c2cn(Cc3ccccc3)nn2)nc2ccccc2c1=O
InChIInChI=1S/C22H21N7O/c1-2-29-21(30)19-12-6-7-13-20(19)24-22(29)26-23-14-8-11-18-16-28(27-25-18)15-17-9-4-3-5-10-17/h3-14,16H,2,15H2,1H3,(H,24,26)/b11-8+,23-14-
InChIKeyUZKLWXWOPZUOIW-LABNAMAPSA-N
MW399.46 g/mol
LogP3.17
Rot. Bonds7

About 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one

2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one (PubChem CID 9296249) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one
PubChem CID9296249
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(N/N=C\C=C\c2cn(Cc3ccccc3)nn2)nc2ccccc2c1=O
InChIInChI=1S/C22H21N7O/c1-2-29-21(30)19-12-6-7-13-20(19)24-22(29)26-23-14-8-11-18-16-28(27-25-18)15-17-9-4-3-5-10-17/h3-14,16H,2,15H2,1H3,(H,24,26)/b11-8+,23-14-
InChIKeyUZKLWXWOPZUOIW-LABNAMAPSA-N
XLogP3.17
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-3-chloroaniline
CID 9211953
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-N-methylaniline
CID 9350632
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729400
3-(3-methoxypropyl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]quinazolin-4-one
CID 9299099
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
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-[(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
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217455
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[(2Z)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]quinazolin-4-one
CID 8983747

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one (CID 9296249) is 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one is CCn1c(N/N=C\C=C\c2cn(Cc3ccccc3)nn2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The InChIKey is UZKLWXWOPZUOIW-LABNAMAPSA-N. The full InChI is InChI=1S/C22H21N7O/c1-2-29-21(30)19-12-6-7-13-20(19)24-22(29)26-23-14-8-11-18-16-28(27-25-18)15-17-9-4-3-5-10-17/h3-14,16H,2,15H2,1H3,(H,24,26)/b11-8+,23-14-.
What are the key properties of 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one?
2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one has a molecular weight of 399.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]hydrazinyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 9296249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).