4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid

C19H13N3O5 — CID 171470650

IUPAC4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid
SMILESCOc1ccc(Nc2nc3cc(C(=O)O)ccc3c3c2C(=O)C(=O)N3)cc1
InChIInChI=1S/C19H13N3O5/c1-27-11-5-3-10(4-6-11)20-17-14-15(22-18(24)16(14)23)12-7-2-9(19(25)26)8-13(12)21-17/h2-8H,1H3,(H,20,21)(H,25,26)(H,22,23,24)
InChIKeyDXGXOCBFZZNFIL-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.82
Rot. Bonds4

About 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid

4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid (PubChem CID 171470650) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid
PubChem CID171470650
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC Name4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid
SMILESCOc1ccc(Nc2nc3cc(C(=O)O)ccc3c3c2C(=O)C(=O)N3)cc1
InChIInChI=1S/C19H13N3O5/c1-27-11-5-3-10(4-6-11)20-17-14-15(22-18(24)16(14)23)12-7-2-9(19(25)26)8-13(12)21-17/h2-8H,1H3,(H,20,21)(H,25,26)(H,22,23,24)
InChIKeyDXGXOCBFZZNFIL-UHFFFAOYSA-N
XLogP2.82
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid (CID 171470650) is 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid is COc1ccc(Nc2nc3cc(C(=O)O)ccc3c3c2C(=O)C(=O)N3)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is DXGXOCBFZZNFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c1-27-11-5-3-10(4-6-11)20-17-14-15(22-18(24)16(14)23)12-7-2-9(19(25)26)8-13(12)21-17/h2-8H,1H3,(H,20,21)(H,25,26)(H,22,23,24).
What are the key properties of 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid?
4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 363.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-2,3-dioxo-1H-pyrrolo[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 171470650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).