1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid

C12H12N2O3 — CID 82571278

IUPAC1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2ccnc(NCCO)c12
InChIInChI=1S/C12H12N2O3/c15-7-6-14-11-10-8(4-5-13-11)2-1-3-9(10)12(16)17/h1-5,15H,6-7H2,(H,13,14)(H,16,17)
InChIKeyOLINTPBIBFJBAQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid

1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid (PubChem CID 82571278) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid
PubChem CID82571278
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2ccnc(NCCO)c12
InChIInChI=1S/C12H12N2O3/c15-7-6-14-11-10-8(4-5-13-11)2-1-3-9(10)12(16)17/h1-5,15H,6-7H2,(H,13,14)(H,16,17)
InChIKeyOLINTPBIBFJBAQ-UHFFFAOYSA-N
XLogP1.34
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethylamino)isoquinoline-5-carboxylic acid
CID 82571100
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
4-[(8-methoxyisoquinolin-1-yl)amino]butanoic acid
CID 82571358
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
4-(2-pyridin-4-ylethylamino)quinazoline-5-carboxylic acid
CID 1414043
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
[2-(2-hydroxyethylamino)-3-pyridinyl]boronic acid
CID 164518005
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
CID 105381797
2-[2-(methanesulfonamido)ethylamino]pyridine-3-carboxylic acid
CID 43420764

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid (CID 82571278) is 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid is O=C(O)c1cccc2ccnc(NCCO)c12.
What is the InChIKey of 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid?
The InChIKey is OLINTPBIBFJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-7-6-14-11-10-8(4-5-13-11)2-1-3-9(10)12(16)17/h1-5,15H,6-7H2,(H,13,14)(H,16,17).
What are the key properties of 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid?
1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)isoquinoline-8-carboxylic acid is sourced from PubChem (CID 82571278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).