5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol

C32H39BrF2N4O4 — CID 157117454

IUPAC5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol
SMILESC[C@@H]1CNC[C@H](CO)O1.Cc1c(F)cc(Br)c2cccnc12.Cc1c(F)cc(N2C[C@H](CO)O[C@H](C)C2)c2cccnc12
InChIInChI=1S/C16H19FN2O2.C10H7BrFN.C6H13NO2/c1-10-7-19(8-12(9-20)21-10)15-6-14(17)11(2)16-13(15)4-3-5-18-16;1-6-9(12)5-8(11)7-3-2-4-13-10(6)7;1-5-2-7-3-6(4-8)9-5/h3-6,10,12,20H,7-9H2,1-2H3;2-5H,1H3;5-8H,2-4H2,1H3/t10-,12-;;5-,6-/m1.1/s1
InChIKeyAHOMRQPZEHXGMG-RBMIGZDASA-N
MW661.59 g/mol
LogP5.07
Rot. Bonds3

About 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol

5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol (PubChem CID 157117454) has the molecular formula C32H39BrF2N4O4 and a molecular weight of 661.59 g/mol. Its IUPAC name is 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol
PubChem CID157117454
Molecular FormulaC32H39BrF2N4O4
Molecular Weight661.59 g/mol
Exact Mass660.21
IUPAC Name5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol
SMILESC[C@@H]1CNC[C@H](CO)O1.Cc1c(F)cc(Br)c2cccnc12.Cc1c(F)cc(N2C[C@H](CO)O[C@H](C)C2)c2cccnc12
InChIInChI=1S/C16H19FN2O2.C10H7BrFN.C6H13NO2/c1-10-7-19(8-12(9-20)21-10)15-6-14(17)11(2)16-13(15)4-3-5-18-16;1-6-9(12)5-8(11)7-3-2-4-13-10(6)7;1-5-2-7-3-6(4-8)9-5/h3-6,10,12,20H,7-9H2,1-2H3;2-5H,1H3;5-8H,2-4H2,1H3/t10-,12-;;5-,6-/m1.1/s1
InChIKeyAHOMRQPZEHXGMG-RBMIGZDASA-N
XLogP5.07
TPSA99.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.59
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-8-(trifluoromethyl)quinoline;[(2R,6R)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholin-2-yl]methanol
CID 157877153
5-bromo-8-(trifluoromethyl)quinoline;methane;5-methylpiperidin-3-ol;(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 158510572
5-Bromo-8-(trifluoromethyl)quinoline;5-methylpiperidin-3-ol;5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 158961326
5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride
CID 157226461
5-bromoquinoline-8-carbonitrile;5-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile;[(2R,6R)-6-methylmorpholin-2-yl]methanol
CID 158461540
5-bromo-3-fluoro-2-methylaniline;5-bromo-7-fluoro-8-methylquinoline;tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[(3S,5S)-5-methylpiperidin-3-yl]acetate;(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine;methane;propane-1,2,3-triol
CID 158758383
8-bromoquinoxaline-5-carbonitrile;8-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile;[(2R,6R)-6-methylmorpholin-2-yl]methanol
CID 160058249
5-Bromoquinoline-8-carbonitrile;5-(3-hydroxy-5-methylpiperidin-1-yl)quinoline-8-carbonitrile;5-methylpiperidin-3-ol
CID 160375958
5-bromo-3-fluoro-2-methylaniline;5-bromo-7-fluoro-8-methylquinoline;tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[(3S,5S)-5-methylpiperidin-3-yl]acetate;(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine;methanol;propane-1,2,3-triol
CID 161432977
5-bromoquinazoline-8-carbonitrile;5-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinazoline-8-carbonitrile;[(2R,6R)-6-methylmorpholin-2-yl]methanol
CID 161806377
5-bromo-3-fluoro-2-methylaniline;5-bromo-7-fluoro-8-methylquinoline;tert-butyl 2-[(3S,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-yl]acetate;tert-butyl 2-[(3S,5S)-5-methylpiperidin-3-yl]acetate;(3R,5S)-1-(7-fluoro-8-methylquinolin-5-yl)-5-methylpiperidin-3-amine;propane-1,2,3-triol
CID 162185138
5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine
CID 167683776

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol (CID 157117454) is 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol is C[C@@H]1CNC[C@H](CO)O1.Cc1c(F)cc(Br)c2cccnc12.Cc1c(F)cc(N2C[C@H](CO)O[C@H](C)C2)c2cccnc12.
What is the InChIKey of 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol?
The InChIKey is AHOMRQPZEHXGMG-RBMIGZDASA-N. The full InChI is InChI=1S/C16H19FN2O2.C10H7BrFN.C6H13NO2/c1-10-7-19(8-12(9-20)21-10)15-6-14(17)11(2)16-13(15)4-3-5-18-16;1-6-9(12)5-8(11)7-3-2-4-13-10(6)7;1-5-2-7-3-6(4-8)9-5/h3-6,10,12,20H,7-9H2,1-2H3;2-5H,1H3;5-8H,2-4H2,1H3/t10-,12-;;5-,6-/m1.1/s1.
What are the key properties of 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol?
5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol has a molecular weight of 661.59 g/mol, XLogP of 5.07, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 157117454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).