1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide

C19H16N2O — CID 150638651

IUPAC1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc3cnccc3c2)CC1c1ccccc1
InChIInChI=1S/C19H16N2O/c20-18(22)19(11-17(19)13-4-2-1-3-5-13)16-7-6-15-12-21-9-8-14(15)10-16/h1-10,12,17H,11H2,(H2,20,22)
InChIKeyIZKOYXFJJSEJQY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.15
Rot. Bonds3

About 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide

1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide (PubChem CID 150638651) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
PubChem CID150638651
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc3cnccc3c2)CC1c1ccccc1
InChIInChI=1S/C19H16N2O/c20-18(22)19(11-17(19)13-4-2-1-3-5-13)16-7-6-15-12-21-9-8-14(15)10-16/h1-10,12,17H,11H2,(H2,20,22)
InChIKeyIZKOYXFJJSEJQY-UHFFFAOYSA-N
XLogP3.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide (CID 150638651) is 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide is NC(=O)C1(c2ccc3cnccc3c2)CC1c1ccccc1.
What is the InChIKey of 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IZKOYXFJJSEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c20-18(22)19(11-17(19)13-4-2-1-3-5-13)16-7-6-15-12-21-9-8-14(15)10-16/h1-10,12,17H,11H2,(H2,20,22).
What are the key properties of 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide?
1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 150638651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).