methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate

C11H15N3O2 — CID 138549204

IUPACmethyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate
SMILESCOC(=O)Nc1c(N)ccc2c1NCCC2
InChIInChI=1S/C11H15N3O2/c1-16-11(15)14-10-8(12)5-4-7-3-2-6-13-9(7)10/h4-5,13H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyFSVNLKWEXMXLRC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.81
Rot. Bonds1

About methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate

methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate (PubChem CID 138549204) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate
PubChem CID138549204
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate
SMILESCOC(=O)Nc1c(N)ccc2c1NCCC2
InChIInChI=1S/C11H15N3O2/c1-16-11(15)14-10-8(12)5-4-7-3-2-6-13-9(7)10/h4-5,13H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyFSVNLKWEXMXLRC-UHFFFAOYSA-N
XLogP1.81
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate?
The IUPAC name of methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate (CID 138549204) is methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate.
What is the SMILES notation for methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate?
The canonical SMILES for methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate is COC(=O)Nc1c(N)ccc2c1NCCC2.
What is the InChIKey of methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate?
The InChIKey is FSVNLKWEXMXLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11(15)14-10-8(12)5-4-7-3-2-6-13-9(7)10/h4-5,13H,2-3,6,12H2,1H3,(H,14,15).
What are the key properties of methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate?
methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(7-amino-1,2,3,4-tetrahydroquinolin-8-yl)carbamate is sourced from PubChem (CID 138549204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).