2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide

C19H17ClN8O2 — CID 78836431

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
SMILESCCn1c(NNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)nc2ccccc2c1=O
InChIInChI=1S/C19H17ClN8O2/c1-2-27-18(30)14-5-3-4-6-15(14)21-19(27)24-22-16(29)11-28-25-17(23-26-28)12-7-9-13(20)10-8-12/h3-10H,2,11H2,1H3,(H,21,24)(H,22,29)
InChIKeyBRIVOKJAUVHQAT-UHFFFAOYSA-N
MW424.85 g/mol
LogP1.87
Rot. Bonds6

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide (PubChem CID 78836431) has the molecular formula C19H17ClN8O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
PubChem CID78836431
Molecular FormulaC19H17ClN8O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
SMILESCCn1c(NNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)nc2ccccc2c1=O
InChIInChI=1S/C19H17ClN8O2/c1-2-27-18(30)14-5-3-4-6-15(14)21-19(27)24-22-16(29)11-28-25-17(23-26-28)12-7-9-13(20)10-8-12/h3-10H,2,11H2,1H3,(H,21,24)(H,22,29)
InChIKeyBRIVOKJAUVHQAT-UHFFFAOYSA-N
XLogP1.87
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
CID 24598199
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-4-carbohydrazide
CID 24598228
2-(2,6-dichlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 51251509
2-(4-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methylpropanehydrazide
CID 24598212
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
5-chloro-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 46554488
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
3-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 24645871
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-quinolin-3-ylacetamide
CID 78839406
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide (CID 78836431) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide is CCn1c(NNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)nc2ccccc2c1=O.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
The InChIKey is BRIVOKJAUVHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8O2/c1-2-27-18(30)14-5-3-4-6-15(14)21-19(27)24-22-16(29)11-28-25-17(23-26-28)12-7-9-13(20)10-8-12/h3-10H,2,11H2,1H3,(H,21,24)(H,22,29).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide has a molecular weight of 424.85 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide is sourced from PubChem (CID 78836431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).