8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid

C19H11N5O6 — CID 15222894

IUPAC8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid
SMILESO=C(Nc1ccc2nc3ccc(C(=O)O)nn3c(=O)c2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H11N5O6/c25-17(10-1-4-12(5-2-10)24(29)30)20-11-3-6-14-13(9-11)18(26)23-16(21-14)8-7-15(22-23)19(27)28/h1-9H,(H,20,25)(H,27,28)
InChIKeyGFLWYOIHXLMGDF-UHFFFAOYSA-N
MW405.33 g/mol
LogP2.10
Rot. Bonds4

About 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid

8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid (PubChem CID 15222894) has the molecular formula C19H11N5O6 and a molecular weight of 405.33 g/mol. Its IUPAC name is 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid
PubChem CID15222894
Molecular FormulaC19H11N5O6
Molecular Weight405.33 g/mol
Exact Mass405.07
IUPAC Name8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid
SMILESO=C(Nc1ccc2nc3ccc(C(=O)O)nn3c(=O)c2c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H11N5O6/c25-17(10-1-4-12(5-2-10)24(29)30)20-11-3-6-14-13(9-11)18(26)23-16(21-14)8-7-15(22-23)19(27)28/h1-9H,(H,20,25)(H,27,28)
InChIKeyGFLWYOIHXLMGDF-UHFFFAOYSA-N
XLogP2.10
TPSA156.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]-4-nitrobenzamide
CID 134159674
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
4-nitro-N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]benzamide
CID 3113823
4-nitro-N-[4-(5-nitro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3331764
2-chloro-5-[(4-nitrobenzoyl)amino]benzoate
CID 7473349
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
3,4,5-trihydroxy-N-(4-nitrophenyl)benzamide
CID 10541486
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260

Frequently Asked Questions

What is the IUPAC name of 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid (CID 15222894) is 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid is O=C(Nc1ccc2nc3ccc(C(=O)O)nn3c(=O)c2c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid?
The InChIKey is GFLWYOIHXLMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N5O6/c25-17(10-1-4-12(5-2-10)24(29)30)20-11-3-6-14-13(9-11)18(26)23-16(21-14)8-7-15(22-23)19(27)28/h1-9H,(H,20,25)(H,27,28).
What are the key properties of 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid?
8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid has a molecular weight of 405.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 15222894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).