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

C20H25N3O — CID 70834963

IUPAC7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline
SMILESCc1ccc2c(OC(C)(C)C)cc(-n3ccc(C(C)C)n3)nc2c1
InChIInChI=1S/C20H25N3O/c1-13(2)16-9-10-23(22-16)19-12-18(24-20(4,5)6)15-8-7-14(3)11-17(15)21-19/h7-13H,1-6H3
InChIKeyASCDQHFLAPLZHR-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.03
Rot. Bonds3

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

7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline (PubChem CID 70834963) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline.

Molecular Properties

Compound Name7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline
PubChem CID70834963
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline
SMILESCc1ccc2c(OC(C)(C)C)cc(-n3ccc(C(C)C)n3)nc2c1
InChIInChI=1S/C20H25N3O/c1-13(2)16-9-10-23(22-16)19-12-18(24-20(4,5)6)15-8-7-14(3)11-17(15)21-19/h7-13H,1-6H3
InChIKeyASCDQHFLAPLZHR-UHFFFAOYSA-N
XLogP5.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline?
The IUPAC name of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline (CID 70834963) is 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline.
What is the SMILES notation for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline?
The canonical SMILES for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline is Cc1ccc2c(OC(C)(C)C)cc(-n3ccc(C(C)C)n3)nc2c1.
What is the InChIKey of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline?
The InChIKey is ASCDQHFLAPLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)16-9-10-23(22-16)19-12-18(24-20(4,5)6)15-8-7-14(3)11-17(15)21-19/h7-13H,1-6H3.
What are the key properties of 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline?
7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline has a molecular weight of 323.44 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(2-methylpropan-2-yl)oxy]-2-(3-propan-2-ylpyrazol-1-yl)quinoline is sourced from PubChem (CID 70834963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).