(2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

C20H22F3N5O2 — CID 118005755

IUPAC(2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCCC(N)C(F)(F)F)O1
InChIInChI=1S/C20H22F3N5O2/c1-12-10-28(15-5-4-13(9-24)18-14(15)3-2-7-26-18)11-16(30-12)19(29)27-8-6-17(25)20(21,22)23/h2-5,7,12,16-17H,6,8,10-11,25H2,1H3,(H,27,29)/t12-,16-,17?/m1/s1
InChIKeyCCSBNOZESIIXPN-ZJPCWUBNSA-N
MW421.42 g/mol
LogP2.10
Rot. Bonds5

About (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide

(2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 118005755) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
PubChem CID118005755
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name(2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCCC(N)C(F)(F)F)O1
InChIInChI=1S/C20H22F3N5O2/c1-12-10-28(15-5-4-13(9-24)18-14(15)3-2-7-26-18)11-16(30-12)19(29)27-8-6-17(25)20(21,22)23/h2-5,7,12,16-17H,6,8,10-11,25H2,1H3,(H,27,29)/t12-,16-,17?/m1/s1
InChIKeyCCSBNOZESIIXPN-ZJPCWUBNSA-N
XLogP2.10
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide (CID 118005755) is (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCCC(N)C(F)(F)F)O1.
What is the InChIKey of (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is CCSBNOZESIIXPN-ZJPCWUBNSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-12-10-28(15-5-4-13(9-24)18-14(15)3-2-7-26-18)11-16(30-12)19(29)27-8-6-17(25)20(21,22)23/h2-5,7,12,16-17H,6,8,10-11,25H2,1H3,(H,27,29)/t12-,16-,17?/m1/s1.
What are the key properties of (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide?
(2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(3-amino-4,4,4-trifluorobutyl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118005755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).