4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid

C19H22N4O3 — CID 4900495

IUPAC4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid
SMILESCc1ccc2cc3c(NC(=O)CCC(=O)O)nn(CC(C)C)c3nc2c1
InChIInChI=1S/C19H22N4O3/c1-11(2)10-23-19-14(9-13-5-4-12(3)8-15(13)20-19)18(22-23)21-16(24)6-7-17(25)26/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,25,26)(H,21,22,24)
InChIKeyMQKCUZNNRGAJBL-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.35
Rot. Bonds6

About 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid

4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid (PubChem CID 4900495) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid
PubChem CID4900495
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid
SMILESCc1ccc2cc3c(NC(=O)CCC(=O)O)nn(CC(C)C)c3nc2c1
InChIInChI=1S/C19H22N4O3/c1-11(2)10-23-19-14(9-13-5-4-12(3)8-15(13)20-19)18(22-23)21-16(24)6-7-17(25)26/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,25,26)(H,21,22,24)
InChIKeyMQKCUZNNRGAJBL-UHFFFAOYSA-N
XLogP3.35
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 944850
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
CID 1624843
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 942876
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 1398881
3-methyl-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)butanamide
CID 1423418
N-(7-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 4977668
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide
CID 663685
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
CID 663802
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-4-carboxamide
CID 663834
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 664468
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 938619
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 940499

Frequently Asked Questions

What is the IUPAC name of 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid (CID 4900495) is 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid is Cc1ccc2cc3c(NC(=O)CCC(=O)O)nn(CC(C)C)c3nc2c1.
What is the InChIKey of 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid?
The InChIKey is MQKCUZNNRGAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(2)10-23-19-14(9-13-5-4-12(3)8-15(13)20-19)18(22-23)21-16(24)6-7-17(25)26/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,25,26)(H,21,22,24).
What are the key properties of 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid?
4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 4900495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).