N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H15ClN2O2 — CID 57410360

IUPACN-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cc(O)ccc3Cl)cc2cn1)C1CC1
InChIInChI=1S/C19H15ClN2O2/c20-17-6-5-15(23)9-16(17)13-4-3-12-8-18(21-10-14(12)7-13)22-19(24)11-1-2-11/h3-11,23H,1-2H2,(H,21,22,24)
InChIKeySBLMSIVORTXZKQ-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.61
Rot. Bonds3

About N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410360) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410360
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cc(O)ccc3Cl)cc2cn1)C1CC1
InChIInChI=1S/C19H15ClN2O2/c20-17-6-5-15(23)9-16(17)13-4-3-12-8-18(21-10-14(12)7-13)22-19(24)11-1-2-11/h3-11,23H,1-2H2,(H,21,22,24)
InChIKeySBLMSIVORTXZKQ-UHFFFAOYSA-N
XLogP4.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410360) is N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(-c3cc(O)ccc3Cl)cc2cn1)C1CC1.
What is the InChIKey of N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is SBLMSIVORTXZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-17-6-5-15(23)9-16(17)13-4-3-12-8-18(21-10-14(12)7-13)22-19(24)11-1-2-11/h3-11,23H,1-2H2,(H,21,22,24).
What are the key properties of N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 338.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chloro-5-hydroxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).