3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one

C18H16N4O3 — CID 5424130

IUPAC3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O3/c1-2-5-17-20-16-7-4-3-6-15(16)18(23)21(17)19-12-13-8-10-14(11-9-13)22(24)25/h3-4,6-12H,2,5H2,1H3/b19-12-
InChIKeyLOFOPCZAUATTCT-UNOMPAQXSA-N
MW336.35 g/mol
LogP3.14
Rot. Bonds5

About 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one

3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one (PubChem CID 5424130) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
PubChem CID5424130
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O3/c1-2-5-17-20-16-7-4-3-6-15(16)18(23)21(17)19-12-13-8-10-14(11-9-13)22(24)25/h3-4,6-12H,2,5H2,1H3/b19-12-
InChIKeyLOFOPCZAUATTCT-UNOMPAQXSA-N
XLogP3.14
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.14
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'}

Analyze 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylanilino)methyl]-3-[(E)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 11729350
6-bromo-3-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126327018
2-propyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 1387491
6-bromo-3-[[4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126334194
6-bromo-3-[[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126315744
6-bromo-3-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126333389
[2-[(2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 126150630
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 936802
3-butyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625767
6-bromo-3-[[2-[(5-nitro-2-pyridinyl)oxy]naphthalen-1-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126328375

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one (CID 5424130) is 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is LOFOPCZAUATTCT-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-2-5-17-20-16-7-4-3-6-15(16)18(23)21(17)19-12-13-8-10-14(11-9-13)22(24)25/h3-4,6-12H,2,5H2,1H3/b19-12-.
What are the key properties of 3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one?
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 336.35 g/mol, XLogP of 3.14, 5 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]-2-propylquinazolin-4-one is sourced from PubChem (CID 5424130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).