N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide

C21H16N6O3 — CID 71470924

IUPACN-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C21H16N6O3/c22-17-3-1-2-4-19(17)26-21(28)13-5-7-14(8-6-13)25-20-16-11-15(27(29)30)9-10-18(16)23-12-24-20/h1-12H,22H2,(H,26,28)(H,23,24,25)
InChIKeyMOMUCKAYAKKZET-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.12
Rot. Bonds5

About N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide

N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide (PubChem CID 71470924) has the molecular formula C21H16N6O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
PubChem CID71470924
Molecular FormulaC21H16N6O3
Molecular Weight400.40 g/mol
Exact Mass400.13
IUPAC NameN-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C21H16N6O3/c22-17-3-1-2-4-19(17)26-21(28)13-5-7-14(8-6-13)25-20-16-11-15(27(29)30)9-10-18(16)23-12-24-20/h1-12H,22H2,(H,26,28)(H,23,24,25)
InChIKeyMOMUCKAYAKKZET-UHFFFAOYSA-N
XLogP4.12
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide 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

N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
CID 71470718
4-N-(2-aminophenyl)-1-N-[4-(3-ethynylanilino)quinazolin-6-yl]benzene-1,4-dicarboxamide
CID 58192003
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-nitrobenzamide
CID 71761875
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide
CID 71470828
N-(6-nitroquinazolin-4-yl)-3-(trifluoromethyl)benzamide
CID 152673627
4-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-[(6-nitroquinolin-4-yl)amino]phenyl]benzamide
CID 67199735
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
2-N-(2-aminophenyl)-5-N-[4-(3-ethynylanilino)quinazolin-6-yl]thiophene-2,5-dicarboxamide
CID 58191988
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
6-nitro-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide
CID 11962985

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide (CID 71470924) is N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide is Nc1ccccc1NC(=O)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide?
The InChIKey is MOMUCKAYAKKZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O3/c22-17-3-1-2-4-19(17)26-21(28)13-5-7-14(8-6-13)25-20-16-11-15(27(29)30)9-10-18(16)23-12-24-20/h1-12H,22H2,(H,26,28)(H,23,24,25).
What are the key properties of N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide?
N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide has a molecular weight of 400.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71470924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).