4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid

C24H21N7O5 — CID 164536986

IUPAC4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid
SMILESCNc1nc2cnc(C(=O)O)cc2c2c1CCO2.Cc1[nH]nc2c1c(N)nc1ccc(C(=O)O)cc12
InChIInChI=1S/C12H10N4O2.C12H11N3O3/c1-5-9-10(16-15-5)7-4-6(12(17)18)2-3-8(7)14-11(9)13;1-13-11-6-2-3-18-10(6)7-4-8(12(16)17)14-5-9(7)15-11/h2-4H,1H3,(H2,13,14)(H,15,16)(H,17,18);4-5H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyIAXUPLPZIFVUIH-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.00
Rot. Bonds3

About 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid

4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid (PubChem CID 164536986) has the molecular formula C24H21N7O5 and a molecular weight of 487.48 g/mol. Its IUPAC name is 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid
PubChem CID164536986
Molecular FormulaC24H21N7O5
Molecular Weight487.48 g/mol
Exact Mass487.16
IUPAC Name4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid
SMILESCNc1nc2cnc(C(=O)O)cc2c2c1CCO2.Cc1[nH]nc2c1c(N)nc1ccc(C(=O)O)cc12
InChIInChI=1S/C12H10N4O2.C12H11N3O3/c1-5-9-10(16-15-5)7-4-6(12(17)18)2-3-8(7)14-11(9)13;1-13-11-6-2-3-18-10(6)7-4-8(12(16)17)14-5-9(7)15-11/h2-4H,1H3,(H2,13,14)(H,15,16)(H,17,18);4-5H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyIAXUPLPZIFVUIH-UHFFFAOYSA-N
XLogP3.00
TPSA189.23 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid?
The IUPAC name of 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid (CID 164536986) is 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid?
The canonical SMILES for 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid is CNc1nc2cnc(C(=O)O)cc2c2c1CCO2.Cc1[nH]nc2c1c(N)nc1ccc(C(=O)O)cc12.
What is the InChIKey of 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid?
The InChIKey is IAXUPLPZIFVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2.C12H11N3O3/c1-5-9-10(16-15-5)7-4-6(12(17)18)2-3-8(7)14-11(9)13;1-13-11-6-2-3-18-10(6)7-4-8(12(16)17)14-5-9(7)15-11/h2-4H,1H3,(H2,13,14)(H,15,16)(H,17,18);4-5H,2-3H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid?
4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid has a molecular weight of 487.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2H-pyrazolo[4,3-c]quinoline-8-carboxylic acid;4-(methylamino)-2,3-dihydrofuro[3,2-c][1,7]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 164536986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).