methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate

C12H16N2O2 — CID 81423829

IUPACmethyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
SMILESCOC(=O)NCc1cccc2c1NCCC2
InChIInChI=1S/C12H16N2O2/c1-16-12(15)14-8-10-5-2-4-9-6-3-7-13-11(9)10/h2,4-5,13H,3,6-8H2,1H3,(H,14,15)
InChIKeyYZRCMVNDUCAOQF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.90
Rot. Bonds2

About methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate

methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate (PubChem CID 81423829) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
PubChem CID81423829
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
SMILESCOC(=O)NCc1cccc2c1NCCC2
InChIInChI=1S/C12H16N2O2/c1-16-12(15)14-8-10-5-2-4-9-6-3-7-13-11(9)10/h2,4-5,13H,3,6-8H2,1H3,(H,14,15)
InChIKeyYZRCMVNDUCAOQF-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)acetamide
CID 81423062
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)benzamide
CID 81423548
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cycloheptanecarboxamide
CID 81424228
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide
CID 81423205
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
methyl 4-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)pentanoate
CID 80650294
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
3-(2,2-difluoroethoxy)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propanamide
CID 103206937
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
1-propan-2-yl-3-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]urea
CID 81423411
4-methoxy-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]butanamide
CID 81423200
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate?
The IUPAC name of methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate (CID 81423829) is methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate?
The canonical SMILES for methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate is COC(=O)NCc1cccc2c1NCCC2.
What is the InChIKey of methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate?
The InChIKey is YZRCMVNDUCAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)14-8-10-5-2-4-9-6-3-7-13-11(9)10/h2,4-5,13H,3,6-8H2,1H3,(H,14,15).
What are the key properties of methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate?
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate has a molecular weight of 220.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate is sourced from PubChem (CID 81423829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).