N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide

C22H23N3O — CID 57410727

IUPACN-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(N(C)C)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H23N3O/c1-14-4-9-19(25(2)3)12-20(14)17-8-7-16-11-21(23-13-18(16)10-17)24-22(26)15-5-6-15/h4,7-13,15H,5-6H2,1-3H3,(H,23,24,26)
InChIKeyPXVCHFANOLWOEZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.62
Rot. Bonds4

About N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410727) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410727
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(N(C)C)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H23N3O/c1-14-4-9-19(25(2)3)12-20(14)17-8-7-16-11-21(23-13-18(16)10-17)24-22(26)15-5-6-15/h4,7-13,15H,5-6H2,1-3H3,(H,23,24,26)
InChIKeyPXVCHFANOLWOEZ-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410727) is N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccc(N(C)C)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is PXVCHFANOLWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-4-9-19(25(2)3)12-20(14)17-8-7-16-11-21(23-13-18(16)10-17)24-22(26)15-5-6-15/h4,7-13,15H,5-6H2,1-3H3,(H,23,24,26).
What are the key properties of N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[5-(dimethylamino)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).