2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid

C17H21N3O3 — CID 59731995

IUPAC2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid
SMILESCC(C)(C)CN1C(=O)C(CC(=O)O)Cc2ccc3[nH]ncc3c21
InChIInChI=1S/C17H21N3O3/c1-17(2,3)9-20-15-10(4-5-13-12(15)8-18-19-13)6-11(16(20)23)7-14(21)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,19)(H,21,22)
InChIKeyDZJKWSGTMLVFJA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid

2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid (PubChem CID 59731995) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid
PubChem CID59731995
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid
SMILESCC(C)(C)CN1C(=O)C(CC(=O)O)Cc2ccc3[nH]ncc3c21
InChIInChI=1S/C17H21N3O3/c1-17(2,3)9-20-15-10(4-5-13-12(15)8-18-19-13)6-11(16(20)23)7-14(21)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,19)(H,21,22)
InChIKeyDZJKWSGTMLVFJA-UHFFFAOYSA-N
XLogP2.59
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;2-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]acetic acid;hydroxide;hydrate
CID 172813255
2-[9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]ethyl acetate
CID 67317863
2-[4-chloro-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetic acid
CID 68892316
2-[(7S)-4-chloro-8-oxo-9-(pyridin-4-ylmethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetic acid
CID 59732056
N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-1'-methyl-2',4'-dioxospiro[7,8-dihydro-5H-naphthalene-6,5'-imidazolidine]-2-carboxamide
CID 24987067
dipotassium;methyl 2-[(7S)-4-chloro-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetate;carbonate
CID 159745409
N-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(3-oxo-1,4-dihydroisoquinolin-2-yl)piperidine-1-carboxamide
CID 59731868
2-(8-hydroxy-1,2-dimethyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid
CID 67259148
2-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperazine-1-carboxamide
CID 140531878
3-[1-[2-[(7S)-4-chloro-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetyl]piperidin-4-yl]-1-phenylimidazolidine-2,4-dione
CID 11978315
2-[(7R)-9-(2,2-dimethylpropyl)-8-oxo-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxamide
CID 140531880
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl)acetic acid
CID 82414310

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid (CID 59731995) is 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid is CC(C)(C)CN1C(=O)C(CC(=O)O)Cc2ccc3[nH]ncc3c21.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid?
The InChIKey is DZJKWSGTMLVFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,3)9-20-15-10(4-5-13-12(15)8-18-19-13)6-11(16(20)23)7-14(21)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,18,19)(H,21,22).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid?
2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-2-oxo-4,7-dihydro-3H-pyrazolo[5,4-h]quinolin-3-yl]acetic acid is sourced from PubChem (CID 59731995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).