N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride

C21H23ClN4O — CID 67765153

IUPACN-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride
SMILESCCCCOc1ccc(Nc2cc(C)nc3ccc4cn[nH]c4c23)cc1.Cl
InChIInChI=1S/C21H22N4O.ClH/c1-3-4-11-26-17-8-6-16(7-9-17)24-19-12-14(2)23-18-10-5-15-13-22-25-21(15)20(18)19;/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyXIXSQZGOTDMFAV-UHFFFAOYSA-N
MW382.90 g/mol
LogP5.76
Rot. Bonds6

About N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride

N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride (PubChem CID 67765153) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride
PubChem CID67765153
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride
SMILESCCCCOc1ccc(Nc2cc(C)nc3ccc4cn[nH]c4c23)cc1.Cl
InChIInChI=1S/C21H22N4O.ClH/c1-3-4-11-26-17-8-6-16(7-9-17)24-19-12-14(2)23-18-10-5-15-13-22-25-21(15)20(18)19;/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyXIXSQZGOTDMFAV-UHFFFAOYSA-N
XLogP5.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.90
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride?
The IUPAC name of N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride (CID 67765153) is N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride.
What is the SMILES notation for N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride?
The canonical SMILES for N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride is CCCCOc1ccc(Nc2cc(C)nc3ccc4cn[nH]c4c23)cc1.Cl.
What is the InChIKey of N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride?
The InChIKey is XIXSQZGOTDMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.ClH/c1-3-4-11-26-17-8-6-16(7-9-17)24-19-12-14(2)23-18-10-5-15-13-22-25-21(15)20(18)19;/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride?
N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride has a molecular weight of 382.90 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride is sourced from PubChem (CID 67765153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).