1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide

C12H13N3O — CID 89464645

IUPAC1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide
SMILESNC(=O)C1CN2CC=c3ccccc3=C2N1
InChIInChI=1S/C12H13N3O/c13-11(16)10-7-15-6-5-8-3-1-2-4-9(8)12(15)14-10/h1-5,10,14H,6-7H2,(H2,13,16)
InChIKeyQJGZPZLHPNWDRK-UHFFFAOYSA-N
MW215.26 g/mol
LogP-1.69
Rot. Bonds1

About 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide

1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide (PubChem CID 89464645) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide
PubChem CID89464645
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide
SMILESNC(=O)C1CN2CC=c3ccccc3=C2N1
InChIInChI=1S/C12H13N3O/c13-11(16)10-7-15-6-5-8-3-1-2-4-9(8)12(15)14-10/h1-5,10,14H,6-7H2,(H2,13,16)
InChIKeyQJGZPZLHPNWDRK-UHFFFAOYSA-N
XLogP-1.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide?
The IUPAC name of 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide (CID 89464645) is 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide.
What is the SMILES notation for 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide?
The canonical SMILES for 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide is NC(=O)C1CN2CC=c3ccccc3=C2N1.
What is the InChIKey of 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide?
The InChIKey is QJGZPZLHPNWDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-11(16)10-7-15-6-5-8-3-1-2-4-9(8)12(15)14-10/h1-5,10,14H,6-7H2,(H2,13,16).
What are the key properties of 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide?
1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide is sourced from PubChem (CID 89464645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).