7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one

C14H16N4O — CID 135446126

IUPAC7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
SMILESCC(C)(C)c1[nH]nc2c1c(=O)[nH]c1cc(N)ccc12
InChIInChI=1S/C14H16N4O/c1-14(2,3)12-10-11(17-18-12)8-5-4-7(15)6-9(8)16-13(10)19/h4-6H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCXQBSJISFCGUGT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds

About 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one

7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one (PubChem CID 135446126) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
PubChem CID135446126
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
SMILESCC(C)(C)c1[nH]nc2c1c(=O)[nH]c1cc(N)ccc12
InChIInChI=1S/C14H16N4O/c1-14(2,3)12-10-11(17-18-12)8-5-4-7(15)6-9(8)16-13(10)19/h4-6H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCXQBSJISFCGUGT-UHFFFAOYSA-N
XLogP2.28
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(3-tert-butyl-4-oxo-2,5-dihydropyrazolo[4,3-c]quinolin-7-yl)amino]-4-oxobutanoic acid
CID 135489511
7-amino-3-(2,2-dimethylpropyl)-4-methyl-1H-quinolin-2-one
CID 91459928
7-amino-4-tert-butyl-2H-isoquinolin-1-one
CID 115063559
7-amino-4-methyl-1H-quinolin-2-one;benzene-1,3-diamine
CID 159619510
6-amino-3-methyl-1H-indole-2-carbaldehyde
CID 96630486
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281
3-phenyl-1H-indazol-6-amine
CID 18616705
2-[7-amino-2-oxo-4-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 24822995
4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
CID 135472989
7-amino-4-hydroxy-3-prop-2-enoxy-1H-quinolin-2-one
CID 54713989
1-(6-amino-1H-benzimidazol-2-yl)ethanone
CID 83428502
3-tert-butyl-6-methyl-2H-pyrazolo[3,4-b]pyridin-4-amine
CID 84672589

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one (CID 135446126) is 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one is CC(C)(C)c1[nH]nc2c1c(=O)[nH]c1cc(N)ccc12.
What is the InChIKey of 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
The InChIKey is CXQBSJISFCGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-14(2,3)12-10-11(17-18-12)8-5-4-7(15)6-9(8)16-13(10)19/h4-6H,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-tert-butyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135446126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).