8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide

C12H13N3O2 — CID 82571789

IUPAC8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
SMILESNc1cccc2ccnc(C(=O)NCCO)c12
InChIInChI=1S/C12H13N3O2/c13-9-3-1-2-8-4-5-14-11(10(8)9)12(17)15-6-7-16/h1-5,16H,6-7,13H2,(H,15,17)
InChIKeyGUMKYANVNSLIGL-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.54
Rot. Bonds3

About 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide

8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide (PubChem CID 82571789) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound Name8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
PubChem CID82571789
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
SMILESNc1cccc2ccnc(C(=O)NCCO)c12
InChIInChI=1S/C12H13N3O2/c13-9-3-1-2-8-4-5-14-11(10(8)9)12(17)15-6-7-16/h1-5,16H,6-7,13H2,(H,15,17)
InChIKeyGUMKYANVNSLIGL-UHFFFAOYSA-N
XLogP0.54
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-amino-N-methylisoquinoline-1-carboxamide
CID 82571782
8-amino-N-tert-butylisoquinoline-1-carboxamide
CID 82571794
3-N-(2-hydroxyethyl)pyridine-2,3-dicarboxamide
CID 86150893
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
3-(2-aminoacetyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 174414364
N-[2-(2-phenylphenoxy)ethyl]isoquinoline-1-carboxamide
CID 52822289
1-N-(3-methoxypropyl)isoquinoline-1,8-diamine
CID 82569893
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(2-hydroxyethyl)-3,4-bis(phenylmethoxy)pyridine-2-carboxamide
CID 23245673
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid
CID 82571278

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide?
The IUPAC name of 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide (CID 82571789) is 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide.
What is the SMILES notation for 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide?
The canonical SMILES for 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide is Nc1cccc2ccnc(C(=O)NCCO)c12.
What is the InChIKey of 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide?
The InChIKey is GUMKYANVNSLIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-9-3-1-2-8-4-5-14-11(10(8)9)12(17)15-6-7-16/h1-5,16H,6-7,13H2,(H,15,17).
What are the key properties of 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide?
8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(2-hydroxyethyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 82571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).