(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide

C19H19F3N4O2 — CID 118006848

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N[C@@H](C)C(F)(F)F)O1
InChIInChI=1S/C19H19F3N4O2/c1-11-9-26(10-16(28-11)18(27)25-12(2)19(20,21)22)15-6-5-13(8-23)17-14(15)4-3-7-24-17/h3-7,11-12,16H,9-10H2,1-2H3,(H,25,27)/t11-,12+,16-/m1/s1
InChIKeyQLQVPJNQTCVMSF-BFQNTYOBSA-N
MW392.38 g/mol
LogP2.77
Rot. Bonds3

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide (PubChem CID 118006848) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide
PubChem CID118006848
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N[C@@H](C)C(F)(F)F)O1
InChIInChI=1S/C19H19F3N4O2/c1-11-9-26(10-16(28-11)18(27)25-12(2)19(20,21)22)15-6-5-13(8-23)17-14(15)4-3-7-24-17/h3-7,11-12,16H,9-10H2,1-2H3,(H,25,27)/t11-,12+,16-/m1/s1
InChIKeyQLQVPJNQTCVMSF-BFQNTYOBSA-N
XLogP2.77
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[3-[3-cyano-4-(propan-2-ylamino)quinolin-6-yl]prop-2-ynyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 67476385
N-[2-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4,6-difluorophenyl]-2-methoxyacetamide
CID 140836951
methyl N-[2-[4-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-6-cyanophenyl]carbamate
CID 140836965
3-[4-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 140837146
3-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-fluoropyridine-4-carbonitrile
CID 146676611
3-[4-[(4aR)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]-1H-pyrazin-2-one
CID 153295482
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide
CID 118006889
6-Fluoro-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002537
US10071974, Example 11
CID 121346612
US10577336, Example 8
CID 121346616
US10071974, Example 8
CID 132103945
1-(3-cyano-6-methylquinolin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 45500967

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide (CID 118006848) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N[C@@H](C)C(F)(F)F)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide?
The InChIKey is QLQVPJNQTCVMSF-BFQNTYOBSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-9-26(10-16(28-11)18(27)25-12(2)19(20,21)22)15-6-5-13(8-23)17-14(15)4-3-7-24-17/h3-7,11-12,16H,9-10H2,1-2H3,(H,25,27)/t11-,12+,16-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 118006848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).