4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide

C15H18N2O2 — CID 142685445

IUPAC4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide
SMILESCOc1ccc2cncc(CCC(C)C(N)=O)c2c1
InChIInChI=1S/C15H18N2O2/c1-10(15(16)18)3-4-11-8-17-9-12-5-6-13(19-2)7-14(11)12/h5-10H,3-4H2,1-2H3,(H2,16,18)
InChIKeyHHVOYQFDWKCDDC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds5

About 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide

4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide (PubChem CID 142685445) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide.

Molecular Properties

Compound Name4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide
PubChem CID142685445
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide
SMILESCOc1ccc2cncc(CCC(C)C(N)=O)c2c1
InChIInChI=1S/C15H18N2O2/c1-10(15(16)18)3-4-11-8-17-9-12-5-6-13(19-2)7-14(11)12/h5-10H,3-4H2,1-2H3,(H2,16,18)
InChIKeyHHVOYQFDWKCDDC-UHFFFAOYSA-N
XLogP2.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide?
The IUPAC name of 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide (CID 142685445) is 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide.
What is the SMILES notation for 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide?
The canonical SMILES for 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide is COc1ccc2cncc(CCC(C)C(N)=O)c2c1.
What is the InChIKey of 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide?
The InChIKey is HHVOYQFDWKCDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(15(16)18)3-4-11-8-17-9-12-5-6-13(19-2)7-14(11)12/h5-10H,3-4H2,1-2H3,(H2,16,18).
What are the key properties of 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide?
4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyisoquinolin-4-yl)-2-methylbutanamide is sourced from PubChem (CID 142685445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).