5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid

C19H22N4O3 — CID 3162701

IUPAC5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
SMILESCCCn1nc(NC(=O)CCCC(=O)O)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C19H22N4O3/c1-3-9-23-19-14(11-13-8-7-12(2)10-15(13)20-19)18(22-23)21-16(24)5-4-6-17(25)26/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,21,22,24)
InChIKeyAQDLHSSZPJKXLA-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.50
Rot. Bonds7

About 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid

5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid (PubChem CID 3162701) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
PubChem CID3162701
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
SMILESCCCn1nc(NC(=O)CCCC(=O)O)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C19H22N4O3/c1-3-9-23-19-14(11-13-8-7-12(2)10-15(13)20-19)18(22-23)21-16(24)5-4-6-17(25)26/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,21,22,24)
InChIKeyAQDLHSSZPJKXLA-UHFFFAOYSA-N
XLogP3.50
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid (CID 3162701) is 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid is CCCn1nc(NC(=O)CCCC(=O)O)c2cc3ccc(C)cc3nc21.
What is the InChIKey of 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
The InChIKey is AQDLHSSZPJKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-9-23-19-14(11-13-8-7-12(2)10-15(13)20-19)18(22-23)21-16(24)5-4-6-17(25)26/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,21,22,24).
What are the key properties of 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid?
5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 3162701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).