6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one

C29H22Br2N4O4 — CID 126325234

IUPAC6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C29H22Br2N4O4/c1-2-6-27-33-25-12-11-21(30)15-23(25)29(36)34(27)32-16-18-13-24(31)28(26(14-18)35(37)38)39-17-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-16H,2,6,17H2,1H3
InChIKeyZZZCFHUQOLCZKZ-UHFFFAOYSA-N
MW650.33 g/mol
LogP7.40
Rot. Bonds8

About 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one

6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one (PubChem CID 126325234) has the molecular formula C29H22Br2N4O4 and a molecular weight of 650.33 g/mol. Its IUPAC name is 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one
PubChem CID126325234
Molecular FormulaC29H22Br2N4O4
Molecular Weight650.33 g/mol
Exact Mass648.00
IUPAC Name6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C29H22Br2N4O4/c1-2-6-27-33-25-12-11-21(30)15-23(25)29(36)34(27)32-16-18-13-24(31)28(26(14-18)35(37)38)39-17-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-16H,2,6,17H2,1H3
InChIKeyZZZCFHUQOLCZKZ-UHFFFAOYSA-N
XLogP7.40
TPSA99.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.33
LogP ≤ 57.40
H-Bond Donors ≤ 50
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'}

Analyze 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-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

6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-tert-butylquinazolin-4-one
CID 126294350
6-bromo-2-butyl-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126316502
6-bromo-2-butyl-3-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126323975
6-bromo-3-[(3-bromo-4-ethoxy-5-nitrophenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126328077
6-bromo-3-[[3-bromo-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-butylquinazolin-4-one
CID 126307154
6-bromo-3-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-butylquinazolin-4-one
CID 126322076
6-bromo-3-[[5-bromo-2-[(2-fluorophenyl)methoxy]-3-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one
CID 126330628
6-bromo-3-[(3-bromo-4-ethoxy-5-nitrophenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126291508
6-bromo-3-[(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126317825
6-bromo-3-[(3-bromo-4-methoxy-5-nitrophenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126323254
6-bromo-3-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126290615
2-[2-bromo-4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-6-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 126320513

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one (CID 126325234) is 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one is CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one?
The InChIKey is ZZZCFHUQOLCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Br2N4O4/c1-2-6-27-33-25-12-11-21(30)15-23(25)29(36)34(27)32-16-18-13-24(31)28(26(14-18)35(37)38)39-17-20-9-5-8-19-7-3-4-10-22(19)20/h3-5,7-16H,2,6,17H2,1H3.
What are the key properties of 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one?
6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one has a molecular weight of 650.33 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[3-bromo-4-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]-2-propylquinazolin-4-one is sourced from PubChem (CID 126325234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).