2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride

C23H23ClN6O — CID 68979190

IUPAC2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride
SMILESCl.NCCCn1nc2c(c1C(N)=O)CCc1cnc(-c3cnc4ccccc4c3)cc1-2
InChIInChI=1S/C23H22N6O.ClH/c24-8-3-9-29-22(23(25)30)17-7-6-15-12-27-20(11-18(15)21(17)28-29)16-10-14-4-1-2-5-19(14)26-13-16;/h1-2,4-5,10-13H,3,6-9,24H2,(H2,25,30);1H
InChIKeyVMEFOEQXVCTUHR-UHFFFAOYSA-N
MW434.93 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride

2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride (PubChem CID 68979190) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride
PubChem CID68979190
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride
SMILESCl.NCCCn1nc2c(c1C(N)=O)CCc1cnc(-c3cnc4ccccc4c3)cc1-2
InChIInChI=1S/C23H22N6O.ClH/c24-8-3-9-29-22(23(25)30)17-7-6-15-12-27-20(11-18(15)21(17)28-29)16-10-14-4-1-2-5-19(14)26-13-16;/h1-2,4-5,10-13H,3,6-9,24H2,(H2,25,30);1H
InChIKeyVMEFOEQXVCTUHR-UHFFFAOYSA-N
XLogP3.13
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminopropyl)-8-(2-methoxyphenyl)-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68981605
3-[3-carbamoyl-8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propylcarbamic acid
CID 70495358
quinoline-3-carboxamide;hydrofluoride
CID 174911514
7-(4-amino-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)-N-hydroxyheptanamide
CID 164614749
2-amino-4-quinolin-3-ylpyrimidine-5-carboxamide
CID 118961864
3-(aminomethyl)-4-quinolin-3-ylbenzoic acid
CID 142468627
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide
CID 173044237
2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
CID 145260221
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
(2S)-5-amino-2-[(2-aminoacetyl)-(2-phenylethyl)amino]pentanoic acid;quinoline-3-carboxamide
CID 159057017
2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
CID 19079187

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride (CID 68979190) is 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride is Cl.NCCCn1nc2c(c1C(N)=O)CCc1cnc(-c3cnc4ccccc4c3)cc1-2.
What is the InChIKey of 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride?
The InChIKey is VMEFOEQXVCTUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O.ClH/c24-8-3-9-29-22(23(25)30)17-7-6-15-12-27-20(11-18(15)21(17)28-29)16-10-14-4-1-2-5-19(14)26-13-16;/h1-2,4-5,10-13H,3,6-9,24H2,(H2,25,30);1H.
What are the key properties of 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride?
2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride has a molecular weight of 434.93 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 68979190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).