1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

C20H26N4O — CID 70834965

IUPAC1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C20H26N4O/c1-13(2)21-18-9-10-24(23-18)19-12-17(25-20(4,5)6)15-8-7-14(3)11-16(15)22-19/h7-13H,1-6H3,(H,21,23)
InChIKeyMDZYFGXJTHJLLO-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.73
Rot. Bonds4

About 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine

1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (PubChem CID 70834965) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
PubChem CID70834965
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
SMILESCc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1
InChIInChI=1S/C20H26N4O/c1-13(2)21-18-9-10-24(23-18)19-12-17(25-20(4,5)6)15-8-7-14(3)11-16(15)22-19/h7-13H,1-6H3,(H,21,23)
InChIKeyMDZYFGXJTHJLLO-UHFFFAOYSA-N
XLogP4.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine (CID 70834965) is 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1.
What is the InChIKey of 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
The InChIKey is MDZYFGXJTHJLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(2)21-18-9-10-24(23-18)19-12-17(25-20(4,5)6)15-8-7-14(3)11-16(15)22-19/h7-13H,1-6H3,(H,21,23).
What are the key properties of 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine?
1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine has a molecular weight of 338.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 70834965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).