4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride

C18H19ClN4O — CID 171991735

IUPAC4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride
SMILESCl.NCCc1ccc(C2CC(=O)Nc3c2ccc2[nH]ncc32)cc1
InChIInChI=1S/C18H18N4O.ClH/c19-8-7-11-1-3-12(4-2-11)14-9-17(23)21-18-13(14)5-6-16-15(18)10-20-22-16;/h1-6,10,14H,7-9,19H2,(H,20,22)(H,21,23);1H
InChIKeyLFYAPVDNLAZRRC-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.96
Rot. Bonds3

About 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride

4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride (PubChem CID 171991735) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride
PubChem CID171991735
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride
SMILESCl.NCCc1ccc(C2CC(=O)Nc3c2ccc2[nH]ncc32)cc1
InChIInChI=1S/C18H18N4O.ClH/c19-8-7-11-1-3-12(4-2-11)14-9-17(23)21-18-13(14)5-6-16-15(18)10-20-22-16;/h1-6,10,14H,7-9,19H2,(H,20,22)(H,21,23);1H
InChIKeyLFYAPVDNLAZRRC-UHFFFAOYSA-N
XLogP2.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride?
The IUPAC name of 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride (CID 171991735) is 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride?
The canonical SMILES for 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride is Cl.NCCc1ccc(C2CC(=O)Nc3c2ccc2[nH]ncc32)cc1.
What is the InChIKey of 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride?
The InChIKey is LFYAPVDNLAZRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O.ClH/c19-8-7-11-1-3-12(4-2-11)14-9-17(23)21-18-13(14)5-6-16-15(18)10-20-22-16;/h1-6,10,14H,7-9,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride?
4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)phenyl]-1,3,4,7-tetrahydropyrazolo[5,4-h]quinolin-2-one;hydrochloride is sourced from PubChem (CID 171991735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).