N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide

C12H16N2O2 — CID 165450684

IUPACN-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide
SMILESCOc1ccc(NC(C)=O)c2c1CCCN2
InChIInChI=1S/C12H16N2O2/c1-8(15)14-10-5-6-11(16-2)9-4-3-7-13-12(9)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySHWDEEHMPWCSRF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds2

About N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide

N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide (PubChem CID 165450684) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide
PubChem CID165450684
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide
SMILESCOc1ccc(NC(C)=O)c2c1CCCN2
InChIInChI=1S/C12H16N2O2/c1-8(15)14-10-5-6-11(16-2)9-4-3-7-13-12(9)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySHWDEEHMPWCSRF-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-9-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82158148
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
9-methoxy-6-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
CID 82396298
N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide
CID 37305986
5-(2-chloroethyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 54084258
N-(3-chloro-2,4-dimethoxyphenyl)acetamide
CID 91691937
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
2-[[5-(methanesulfonamido)-1,2,3,4-tetrahydroquinolin-8-yl]oxy]-N-methylacetamide
CID 144895666
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
CID 46926002
CID 46926002
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide?
The IUPAC name of N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide (CID 165450684) is N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide?
The canonical SMILES for N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide is COc1ccc(NC(C)=O)c2c1CCCN2.
What is the InChIKey of N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide?
The InChIKey is SHWDEEHMPWCSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(15)14-10-5-6-11(16-2)9-4-3-7-13-12(9)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide?
N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide has a molecular weight of 220.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,2,3,4-tetrahydroquinolin-8-yl)acetamide is sourced from PubChem (CID 165450684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).