2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide

C19H20N4O2 — CID 95402496

IUPAC2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
SMILESC[C@@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1
InChIInChI=1S/C19H20N4O2/c1-11-5-6-16-14(7-11)18(15(9-20)19(22)23-16)12-3-2-4-13(8-12)25-10-17(21)24/h2-4,8,11H,5-7,10H2,1H3,(H2,21,24)(H2,22,23)/t11-/m1/s1
InChIKeyMHTROKZSNAOLJN-LLVKDONJSA-N
MW336.40 g/mol
LogP2.19
Rot. Bonds4

About 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide

2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide (PubChem CID 95402496) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
PubChem CID95402496
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
SMILESC[C@@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1
InChIInChI=1S/C19H20N4O2/c1-11-5-6-16-14(7-11)18(15(9-20)19(22)23-16)12-3-2-4-13(8-12)25-10-17(21)24/h2-4,8,11H,5-7,10H2,1H3,(H2,21,24)(H2,22,23)/t11-/m1/s1
InChIKeyMHTROKZSNAOLJN-LLVKDONJSA-N
XLogP2.19
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide (CID 95402496) is 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide is C[C@@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1.
What is the InChIKey of 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide?
The InChIKey is MHTROKZSNAOLJN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-5-6-16-14(7-11)18(15(9-20)19(22)23-16)12-3-2-4-13(8-12)25-10-17(21)24/h2-4,8,11H,5-7,10H2,1H3,(H2,21,24)(H2,22,23)/t11-/m1/s1.
What are the key properties of 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide?
2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide is sourced from PubChem (CID 95402496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).