1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride

C19H24ClN5O — CID 90678470

IUPAC1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
SMILESCc1nn(C)c2nc3ccccc3c(NCCCN3CCCC3=O)c12.Cl
InChIInChI=1S/C19H23N5O.ClH/c1-13-17-18(20-10-6-12-24-11-5-9-16(24)25)14-7-3-4-8-15(14)21-19(17)23(2)22-13;/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,20,21);1H
InChIKeyHKEJLWAJNJHHGR-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride

1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride (PubChem CID 90678470) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
PubChem CID90678470
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
SMILESCc1nn(C)c2nc3ccccc3c(NCCCN3CCCC3=O)c12.Cl
InChIInChI=1S/C19H23N5O.ClH/c1-13-17-18(20-10-6-12-24-11-5-9-16(24)25)14-7-3-4-8-15(14)21-19(17)23(2)22-13;/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,20,21);1H
InChIKeyHKEJLWAJNJHHGR-UHFFFAOYSA-N
XLogP3.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride (CID 90678470) is 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride is Cc1nn(C)c2nc3ccccc3c(NCCCN3CCCC3=O)c12.Cl.
What is the InChIKey of 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is HKEJLWAJNJHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.ClH/c1-13-17-18(20-10-6-12-24-11-5-9-16(24)25)14-7-3-4-8-15(14)21-19(17)23(2)22-13;/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,20,21);1H.
What are the key properties of 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride?
1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 373.89 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 90678470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).