4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide

C20H19FN2O2 — CID 156880213

IUPAC4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide
SMILESCc1cc(-c2c(C(C)C)nc(C(N)=O)c3cc(O)ccc23)ccc1F
InChIInChI=1S/C20H19FN2O2/c1-10(2)18-17(12-4-7-16(21)11(3)8-12)14-6-5-13(24)9-15(14)19(23-18)20(22)25/h4-10,24H,1-3H3,(H2,22,25)
InChIKeyQHFDVVHOQOPUGK-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.28
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide

4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide (PubChem CID 156880213) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide
PubChem CID156880213
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide
SMILESCc1cc(-c2c(C(C)C)nc(C(N)=O)c3cc(O)ccc23)ccc1F
InChIInChI=1S/C20H19FN2O2/c1-10(2)18-17(12-4-7-16(21)11(3)8-12)14-6-5-13(24)9-15(14)19(23-18)20(22)25/h4-10,24H,1-3H3,(H2,22,25)
InChIKeyQHFDVVHOQOPUGK-UHFFFAOYSA-N
XLogP4.28
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide (CID 156880213) is 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide is Cc1cc(-c2c(C(C)C)nc(C(N)=O)c3cc(O)ccc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide?
The InChIKey is QHFDVVHOQOPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-10(2)18-17(12-4-7-16(21)11(3)8-12)14-6-5-13(24)9-15(14)19(23-18)20(22)25/h4-10,24H,1-3H3,(H2,22,25).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide?
4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-7-hydroxy-3-propan-2-ylisoquinoline-1-carboxamide is sourced from PubChem (CID 156880213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).