3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one

C18H17N5O3 — CID 8983492

IUPAC3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C(/C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N5O3/c1-3-22-17(24)15-9-4-5-10-16(15)19-18(22)21-20-12(2)13-7-6-8-14(11-13)23(25)26/h4-11H,3H2,1-2H3,(H,19,21)/b20-12-
InChIKeySCSJBAJUSPPGPQ-NDENLUEZSA-N
MW351.37 g/mol
LogP3.16
Rot. Bonds5

About 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one

3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one (PubChem CID 8983492) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
PubChem CID8983492
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one
SMILESCCn1c(N/N=C(/C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O
InChIInChI=1S/C18H17N5O3/c1-3-22-17(24)15-9-4-5-10-16(15)19-18(22)21-20-12(2)13-7-6-8-14(11-13)23(25)26/h4-11H,3H2,1-2H3,(H,19,21)/b20-12-
InChIKeySCSJBAJUSPPGPQ-NDENLUEZSA-N
XLogP3.16
TPSA102.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-2-[1-[3-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983820
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-ethyl-2-[(2Z)-2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylidene]hydrazinyl]quinazolin-4-one
CID 8983966
N-[(E)-1-(3-nitrophenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 19662001
3-ethyl-2-[(2E)-2-[1-(5-methylfuran-2-yl)ethylidene]hydrazinyl]quinazolin-4-one
CID 95567450
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4508338
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
N-[1-(3-nitrophenyl)ethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 154792686

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one (CID 8983492) is 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one is CCn1c(N/N=C(/C)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is SCSJBAJUSPPGPQ-NDENLUEZSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-3-22-17(24)15-9-4-5-10-16(15)19-18(22)21-20-12(2)13-7-6-8-14(11-13)23(25)26/h4-11H,3H2,1-2H3,(H,19,21)/b20-12-.
What are the key properties of 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one?
3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 351.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 8983492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).