1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

C21H28N4O2 — CID 70990385

IUPAC1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCCOc1cc(-n2ccc(NC(C)C)n2)nc2cc(CCCOC)ccc12
InChIInChI=1S/C21H28N4O2/c1-5-27-19-14-21(25-11-10-20(24-25)22-15(2)3)23-18-13-16(7-6-12-26-4)8-9-17(18)19/h8-11,13-15H,5-7,12H2,1-4H3,(H,22,24)
InChIKeyAAXSTJMYBWJYCU-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.22
Rot. Bonds9

About 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 70990385) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
PubChem CID70990385
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCCOc1cc(-n2ccc(NC(C)C)n2)nc2cc(CCCOC)ccc12
InChIInChI=1S/C21H28N4O2/c1-5-27-19-14-21(25-11-10-20(24-25)22-15(2)3)23-18-13-16(7-6-12-26-4)8-9-17(18)19/h8-11,13-15H,5-7,12H2,1-4H3,(H,22,24)
InChIKeyAAXSTJMYBWJYCU-UHFFFAOYSA-N
XLogP4.22
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (CID 70990385) is 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is CCOc1cc(-n2ccc(NC(C)C)n2)nc2cc(CCCOC)ccc12.
What is the InChIKey of 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The InChIKey is AAXSTJMYBWJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-27-19-14-21(25-11-10-20(24-25)22-15(2)3)23-18-13-16(7-6-12-26-4)8-9-17(18)19/h8-11,13-15H,5-7,12H2,1-4H3,(H,22,24).
What are the key properties of 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 368.48 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-7-(3-methoxypropyl)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 70990385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).