3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one

C15H10N4O3 — CID 6304404

IUPAC3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O3/c20-15-13-3-1-2-4-14(13)16-10-18(15)17-9-11-5-7-12(8-6-11)19(21)22/h1-10H/b17-9-
InChIKeyHWXLURARZOCPCA-MFOYZWKCSA-N
MW294.27 g/mol
LogP2.19
Rot. Bonds3

About 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one

3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one (PubChem CID 6304404) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
PubChem CID6304404
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O3/c20-15-13-3-1-2-4-14(13)16-10-18(15)17-9-11-5-7-12(8-6-11)19(21)22/h1-10H/b17-9-
InChIKeyHWXLURARZOCPCA-MFOYZWKCSA-N
XLogP2.19
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
2-[(E)-(4-nitrophenyl)methylideneamino]-1,2-benzothiazol-3-one
CID 10756551
3-[(Z)-[3-ethoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]quinazolin-4-one
CID 126206524
3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
CID 18229360
3-[(Z)-(4-butoxyphenyl)methylideneamino]quinazolin-4-one
CID 29456331
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
2-[(4-methylanilino)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 11729350
(Z)-N-(2-methylbenzimidazol-1-yl)-1-(4-nitrophenyl)methanimine
CID 5414282
(3E)-3-[(4-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 6139214
1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea
CID 18961883
3-[(Z)-(2-fluorophenyl)methylideneamino]-2-[(Z)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 92961782
N-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine
CID 771840

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one (CID 6304404) is 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one is O=c1c2ccccc2ncn1/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one?
The InChIKey is HWXLURARZOCPCA-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15-13-3-1-2-4-14(13)16-10-18(15)17-9-11-5-7-12(8-6-11)19(21)22/h1-10H/b17-9-.
What are the key properties of 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one?
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one has a molecular weight of 294.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6304404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).