(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide

C20H22FN5O2 — CID 154803648

IUPAC(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
SMILESC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C(=O)N[C@@H]2CNC[C@@H]2F)O1
InChIInChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m0/s1
InChIKeyBLEGXEJTJXNGSC-PTOXDTDZSA-N
MW383.43 g/mol
LogP1.13
Rot. Bonds3

About (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide

(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide (PubChem CID 154803648) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
PubChem CID154803648
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
SMILESC[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C(=O)N[C@@H]2CNC[C@@H]2F)O1
InChIInChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m0/s1
InChIKeyBLEGXEJTJXNGSC-PTOXDTDZSA-N
XLogP1.13
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-(8-cyanoquinoxalin-5-yl)-N-[(3S,4R)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide
CID 158089904
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265
tert-butyl (3S,4R)-3-[[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]-4-fluoropyrrolidine-1-carboxylate
CID 149064933
N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140671730
(2R,6R)-N-(2-azaspiro[3.3]heptan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 118006748
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 118006489
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
CID 118007484
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide (CID 154803648) is (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide is C[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C(=O)N[C@@H]2CNC[C@@H]2F)O1.
What is the InChIKey of (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide?
The InChIKey is BLEGXEJTJXNGSC-PTOXDTDZSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m0/s1.
What are the key properties of (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide?
(2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(8-cyanoquinolin-5-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 154803648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).