4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol

C10H14N2O2 — CID 130137807

IUPAC4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cccc2c1C(N)C(O)CN2
InChIInChI=1S/C10H14N2O2/c1-14-8-4-2-3-6-9(8)10(11)7(13)5-12-6/h2-4,7,10,12-13H,5,11H2,1H3
InChIKeyPCBPFMXFKLNNET-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.48
Rot. Bonds1

About 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol

4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 130137807) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID130137807
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cccc2c1C(N)C(O)CN2
InChIInChI=1S/C10H14N2O2/c1-14-8-4-2-3-6-9(8)10(11)7(13)5-12-6/h2-4,7,10,12-13H,5,11H2,1H3
InChIKeyPCBPFMXFKLNNET-UHFFFAOYSA-N
XLogP0.48
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol (CID 130137807) is 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol is COc1cccc2c1C(N)C(O)CN2.
What is the InChIKey of 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is PCBPFMXFKLNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-8-4-2-3-6-9(8)10(11)7(13)5-12-6/h2-4,7,10,12-13H,5,11H2,1H3.
What are the key properties of 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol?
4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 194.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 130137807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).