9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine

C18H18N6O — CID 90103880

IUPAC9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESC=C(C)Cn1cc(Nc2nc3cccc(OC)c3c3cn[nH]c23)cn1
InChIInChI=1S/C18H18N6O/c1-11(2)9-24-10-12(7-20-24)21-18-17-13(8-19-23-17)16-14(22-18)5-4-6-15(16)25-3/h4-8,10H,1,9H2,2-3H3,(H,19,23)(H,21,22)
InChIKeyYFYJZEHZKLVPCR-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.64
Rot. Bonds5

About 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine

9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 90103880) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound Name9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID90103880
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESC=C(C)Cn1cc(Nc2nc3cccc(OC)c3c3cn[nH]c23)cn1
InChIInChI=1S/C18H18N6O/c1-11(2)9-24-10-12(7-20-24)21-18-17-13(8-19-23-17)16-14(22-18)5-4-6-15(16)25-3/h4-8,10H,1,9H2,2-3H3,(H,19,23)(H,21,22)
InChIKeyYFYJZEHZKLVPCR-UHFFFAOYSA-N
XLogP3.64
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 90103880) is 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine is C=C(C)Cn1cc(Nc2nc3cccc(OC)c3c3cn[nH]c23)cn1.
What is the InChIKey of 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is YFYJZEHZKLVPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11(2)9-24-10-12(7-20-24)21-18-17-13(8-19-23-17)16-14(22-18)5-4-6-15(16)25-3/h4-8,10H,1,9H2,2-3H3,(H,19,23)(H,21,22).
What are the key properties of 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine?
9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-N-[1-(2-methylprop-2-enyl)pyrazol-4-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 90103880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).