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

C20H17ClN2O2 — CID 67974827

IUPACN-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H17ClN2O2/c1-25-18-7-6-16(21)10-17(18)14-5-4-13-9-19(22-11-15(13)8-14)23-20(24)12-2-3-12/h4-12H,2-3H2,1H3,(H,22,23,24)
InChIKeyBKERAVSNJRNRTP-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.91
Rot. Bonds4

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

N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974827) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974827
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC NameN-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H17ClN2O2/c1-25-18-7-6-16(21)10-17(18)14-5-4-13-9-19(22-11-15(13)8-14)23-20(24)12-2-3-12/h4-12H,2-3H2,1H3,(H,22,23,24)
InChIKeyBKERAVSNJRNRTP-UHFFFAOYSA-N
XLogP4.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974827) is N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is COc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is BKERAVSNJRNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-18-7-6-16(21)10-17(18)14-5-4-13-9-19(22-11-15(13)8-14)23-20(24)12-2-3-12/h4-12H,2-3H2,1H3,(H,22,23,24).
What are the key properties of N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).