2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

C10H12N2O2 — CID 130131058

IUPAC2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESNc1nc2c(cc1C=O)CC(O)CC2
InChIInChI=1S/C10H12N2O2/c11-10-7(5-13)3-6-4-8(14)1-2-9(6)12-10/h3,5,8,14H,1-2,4H2,(H2,11,12)
InChIKeyGLEOFEYSHFSHNQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.33
Rot. Bonds1

About 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (PubChem CID 130131058) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
PubChem CID130131058
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESNc1nc2c(cc1C=O)CC(O)CC2
InChIInChI=1S/C10H12N2O2/c11-10-7(5-13)3-6-4-8(14)1-2-9(6)12-10/h3,5,8,14H,1-2,4H2,(H2,11,12)
InChIKeyGLEOFEYSHFSHNQ-UHFFFAOYSA-N
XLogP0.33
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The IUPAC name of 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (CID 130131058) is 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.
What is the SMILES notation for 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The canonical SMILES for 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is Nc1nc2c(cc1C=O)CC(O)CC2.
What is the InChIKey of 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The InChIKey is GLEOFEYSHFSHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10-7(5-13)3-6-4-8(14)1-2-9(6)12-10/h3,5,8,14H,1-2,4H2,(H2,11,12).
What are the key properties of 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is sourced from PubChem (CID 130131058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).