(5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide

C113H145F6N9O15 — CID 158944793

IUPAC(5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.CC1(C)COC[C@@H](CO)N1Cc1ccccc1.CC[C@@H]1COCC(=O)N1Cc1ccccc1.CC[C@@H]1COCC(C)(C)N1Cc1ccccc1.Cc1cc(C(=O)NC2CCC(C)(C)COC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCC2COCC(C)(C)C2)nc2c(C(F)(F)F)cc(C3CC3)cc12.O=C1COC[C@@H](CO)N1Cc1ccccc1
InChIInChI=1S/2C23H27F3N2O2.C15H23NO.C14H21NO2.C13H15NO3.C13H17NO2.C12H15NO3/c1-13-6-19(21(29)27-10-14-9-22(2,3)12-30-11-14)28-20-17(13)7-16(15-4-5-15)8-18(20)23(24,25)26;1-13-8-19(21(29)27-16-6-7-22(2,3)12-30-11-16)28-20-17(13)9-15(14-4-5-14)10-18(20)23(24,25)26;1-4-14-11-17-12-15(2,3)16(14)10-13-8-6-5-7-9-13;1-14(2)11-17-10-13(9-16)15(14)8-12-6-4-3-5-7-12;1-10(15)12-8-17-9-13(16)14(12)7-11-5-3-2-4-6-11;1-2-12-9-16-10-13(15)14(12)8-11-6-4-3-5-7-11;14-7-11-8-16-9-12(15)13(11)6-10-4-2-1-3-5-10/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,27,29);8-10,14,16H,4-7,11-12H2,1-3H3,(H,27,29);5-9,14H,4,10-12H2,1-3H3;3-7,13,16H,8-11H2,1-2H3;2-6,12H,7-9H2,1H3;3-7,12H,2,8-10H2,1H3;1-5,11,14H,6-9H2/t;;14-;13-;2*12-;11-/m..11011/s1
InChIKeyJKRMUDWNJOBWTR-IBCCKAASSA-N
MW1983.44 g/mol
LogP18.57
Rot. Bonds22

About (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide

(5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 158944793) has the molecular formula C113H145F6N9O15 and a molecular weight of 1983.44 g/mol. Its IUPAC name is (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name(5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID158944793
Molecular FormulaC113H145F6N9O15
Molecular Weight1983.44 g/mol
Exact Mass1982.08
IUPAC Name(5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.CC1(C)COC[C@@H](CO)N1Cc1ccccc1.CC[C@@H]1COCC(=O)N1Cc1ccccc1.CC[C@@H]1COCC(C)(C)N1Cc1ccccc1.Cc1cc(C(=O)NC2CCC(C)(C)COC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCC2COCC(C)(C)C2)nc2c(C(F)(F)F)cc(C3CC3)cc12.O=C1COC[C@@H](CO)N1Cc1ccccc1
InChIInChI=1S/2C23H27F3N2O2.C15H23NO.C14H21NO2.C13H15NO3.C13H17NO2.C12H15NO3/c1-13-6-19(21(29)27-10-14-9-22(2,3)12-30-11-14)28-20-17(13)7-16(15-4-5-15)8-18(20)23(24,25)26;1-13-8-19(21(29)27-16-6-7-22(2,3)12-30-11-16)28-20-17(13)9-15(14-4-5-14)10-18(20)23(24,25)26;1-4-14-11-17-12-15(2,3)16(14)10-13-8-6-5-7-9-13;1-14(2)11-17-10-13(9-16)15(14)8-12-6-4-3-5-7-12;1-10(15)12-8-17-9-13(16)14(12)7-11-5-3-2-4-6-11;1-2-12-9-16-10-13(15)14(12)8-11-6-4-3-5-7-11;14-7-11-8-16-9-12(15)13(11)6-10-4-2-1-3-5-10/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,27,29);8-10,14,16H,4-7,11-12H2,1-3H3,(H,27,29);5-9,14H,4,10-12H2,1-3H3;3-7,13,16H,8-11H2,1-2H3;2-6,12H,7-9H2,1H3;3-7,12H,2,8-10H2,1H3;1-5,11,14H,6-9H2/t;;14-;13-;2*12-;11-/m..11011/s1
InChIKeyJKRMUDWNJOBWTR-IBCCKAASSA-N
XLogP18.57
TPSA273.53 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001983.44
LogP ≤ 518.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-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

Related Compounds

N-(azetidin-2-ylmethyl)-6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(3-hydroxypropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-[3-(methylamino)propyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(3-morpholin-4-ylpropyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-piperidin-2-ylethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 160964934
potassium;6-cyclopropyl-N-(6-methoxy-2-oxohexyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(5-methoxy-2-oxopentyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetic acid;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;methanamine;methyl 2-aminoacetate;methyl 2-[[6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carbonyl]amino]acetate;hydroxide
CID 162141506

Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide (CID 158944793) is (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide is CC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1.CC1(C)COC[C@@H](CO)N1Cc1ccccc1.CC[C@@H]1COCC(=O)N1Cc1ccccc1.CC[C@@H]1COCC(C)(C)N1Cc1ccccc1.Cc1cc(C(=O)NC2CCC(C)(C)COC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)NCC2COCC(C)(C)C2)nc2c(C(F)(F)F)cc(C3CC3)cc12.O=C1COC[C@@H](CO)N1Cc1ccccc1.
What is the InChIKey of (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is JKRMUDWNJOBWTR-IBCCKAASSA-N. The full InChI is InChI=1S/2C23H27F3N2O2.C15H23NO.C14H21NO2.C13H15NO3.C13H17NO2.C12H15NO3/c1-13-6-19(21(29)27-10-14-9-22(2,3)12-30-11-14)28-20-17(13)7-16(15-4-5-15)8-18(20)23(24,25)26;1-13-8-19(21(29)27-16-6-7-22(2,3)12-30-11-16)28-20-17(13)9-15(14-4-5-14)10-18(20)23(24,25)26;1-4-14-11-17-12-15(2,3)16(14)10-13-8-6-5-7-9-13;1-14(2)11-17-10-13(9-16)15(14)8-12-6-4-3-5-7-12;1-10(15)12-8-17-9-13(16)14(12)7-11-5-3-2-4-6-11;1-2-12-9-16-10-13(15)14(12)8-11-6-4-3-5-7-11;14-7-11-8-16-9-12(15)13(11)6-10-4-2-1-3-5-10/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,27,29);8-10,14,16H,4-7,11-12H2,1-3H3,(H,27,29);5-9,14H,4,10-12H2,1-3H3;3-7,13,16H,8-11H2,1-2H3;2-6,12H,7-9H2,1H3;3-7,12H,2,8-10H2,1H3;1-5,11,14H,6-9H2/t;;14-;13-;2*12-;11-/m..11011/s1.
What are the key properties of (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide?
(5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 1983.44 g/mol, XLogP of 18.57, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetyl-4-benzylmorpholin-3-one;[(3R)-4-benzyl-5,5-dimethylmorpholin-3-yl]methanol;(5R)-4-benzyl-5-ethyl-3,3-dimethylmorpholine;(5R)-4-benzyl-5-ethylmorpholin-3-one;(5R)-4-benzyl-5-(hydroxymethyl)morpholin-3-one;6-cyclopropyl-N-[(5,5-dimethyloxan-3-yl)methyl]-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-N-(6,6-dimethyloxepan-3-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 158944793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).