N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H18N2O2 — CID 71115791

IUPACN-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1c(O)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H18N2O2/c1-12-17(3-2-4-18(12)23)15-8-7-14-10-19(21-11-16(14)9-15)22-20(24)13-5-6-13/h2-4,7-11,13,23H,5-6H2,1H3,(H,21,22,24)
InChIKeyRCDNRMJSPRVPQY-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.26
Rot. Bonds3

About N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115791) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115791
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1c(O)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H18N2O2/c1-12-17(3-2-4-18(12)23)15-8-7-14-10-19(21-11-16(14)9-15)22-20(24)13-5-6-13/h2-4,7-11,13,23H,5-6H2,1H3,(H,21,22,24)
InChIKeyRCDNRMJSPRVPQY-UHFFFAOYSA-N
XLogP4.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115791) is N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is Cc1c(O)cccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is RCDNRMJSPRVPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12-17(3-2-4-18(12)23)15-8-7-14-10-19(21-11-16(14)9-15)22-20(24)13-5-6-13/h2-4,7-11,13,23H,5-6H2,1H3,(H,21,22,24).
What are the key properties of N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).