1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide

C14H16N4O2 — CID 106540772

IUPAC1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1c1nccc2ccc(O)cc12
InChIInChI=1S/C14H16N4O2/c15-13(20)12-8-16-5-6-18(12)14-11-7-10(19)2-1-9(11)3-4-17-14/h1-4,7,12,16,19H,5-6,8H2,(H2,15,20)
InChIKeyCGEKMEYEBYJNFH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.20
Rot. Bonds2

About 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide

1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide (PubChem CID 106540772) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide
PubChem CID106540772
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1c1nccc2ccc(O)cc12
InChIInChI=1S/C14H16N4O2/c15-13(20)12-8-16-5-6-18(12)14-11-7-10(19)2-1-9(11)3-4-17-14/h1-4,7,12,16,19H,5-6,8H2,(H2,15,20)
InChIKeyCGEKMEYEBYJNFH-UHFFFAOYSA-N
XLogP0.20
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide?
The IUPAC name of 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide (CID 106540772) is 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide is NC(=O)C1CNCCN1c1nccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide?
The InChIKey is CGEKMEYEBYJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-13(20)12-8-16-5-6-18(12)14-11-7-10(19)2-1-9(11)3-4-17-14/h1-4,7,12,16,19H,5-6,8H2,(H2,15,20).
What are the key properties of 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide?
1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide is sourced from PubChem (CID 106540772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).