3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one

C19H19N5O3 — CID 23625767

IUPAC3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCCCn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N5O3/c1-2-3-12-23-18(25)16-6-4-5-7-17(16)21-19(23)22-20-13-14-8-10-15(11-9-14)24(26)27/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
InChIKeyIARWFMVSQNGHPR-DEDYPNTBSA-N
MW365.39 g/mol
LogP3.55
Rot. Bonds7

About 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one

3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 23625767) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID23625767
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESCCCCn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N5O3/c1-2-3-12-23-18(25)16-6-4-5-7-17(16)21-19(23)22-20-13-14-8-10-15(11-9-14)24(26)27/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
InChIKeyIARWFMVSQNGHPR-DEDYPNTBSA-N
XLogP3.55
TPSA102.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.55
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

3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
3-(3-methoxypropyl)-2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299243
7-ethyl-1,3-dimethyl-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
CID 1418199
2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 9299253
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
3-(3-methoxypropyl)-2-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299457
2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697078
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
7-butyl-3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
CID 3102119
2-[(2Z)-2-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 8984155
3-(3-methoxypropyl)-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]quinazolin-4-one
CID 9299099

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one (CID 23625767) is 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one is CCCCn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is IARWFMVSQNGHPR-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-2-3-12-23-18(25)16-6-4-5-7-17(16)21-19(23)22-20-13-14-8-10-15(11-9-14)24(26)27/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+.
What are the key properties of 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one?
3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 365.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 23625767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).