propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol

C18H21F3N4O — CID 168936928

IUPACpropane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
SMILESCCC.OC1=C(C(F)(F)F)CNC=C1NCc1ccc2nccnc2c1
InChIInChI=1S/C15H13F3N4O.C3H8/c16-15(17,18)10-7-19-8-13(14(10)23)22-6-9-1-2-11-12(5-9)21-4-3-20-11;1-3-2/h1-5,8,19,22-23H,6-7H2;3H2,1-2H3
InChIKeyWSKUEEDUYMGBGJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.95
Rot. Bonds3

About propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol

propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol (PubChem CID 168936928) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol.

Molecular Properties

Compound Namepropane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
PubChem CID168936928
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Namepropane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol
SMILESCCC.OC1=C(C(F)(F)F)CNC=C1NCc1ccc2nccnc2c1
InChIInChI=1S/C15H13F3N4O.C3H8/c16-15(17,18)10-7-19-8-13(14(10)23)22-6-9-1-2-11-12(5-9)21-4-3-20-11;1-3-2/h1-5,8,19,22-23H,6-7H2;3H2,1-2H3
InChIKeyWSKUEEDUYMGBGJ-UHFFFAOYSA-N
XLogP3.95
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-5-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridine-4,5-diamine
CID 176561576
3-chloro-4-methoxy-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168937063
3-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561484
4-(azetidin-3-yloxy)-3-chloro-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176691496
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
ethane;4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936937
3-chloro-4-(4,7-diazaspiro[2.5]octan-7-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 176561428
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
CID 53299083
N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
6-fluoro-4-methyl-7-pyrrolidin-1-yl-N-(quinoxalin-6-ylmethyl)cyclohepta-1,3,6-trien-1-amine
CID 176561499
4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-N-(quinoxalin-6-ylmethyl)-1,2-dihydropyridin-5-amine
CID 168936819
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682

Frequently Asked Questions

What is the IUPAC name of propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol?
The IUPAC name of propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol (CID 168936928) is propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol.
What is the SMILES notation for propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol?
The canonical SMILES for propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol is CCC.OC1=C(C(F)(F)F)CNC=C1NCc1ccc2nccnc2c1.
What is the InChIKey of propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol?
The InChIKey is WSKUEEDUYMGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O.C3H8/c16-15(17,18)10-7-19-8-13(14(10)23)22-6-9-1-2-11-12(5-9)21-4-3-20-11;1-3-2/h1-5,8,19,22-23H,6-7H2;3H2,1-2H3.
What are the key properties of propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol?
propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol has a molecular weight of 366.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane;5-(quinoxalin-6-ylmethylamino)-3-(trifluoromethyl)-1,2-dihydropyridin-4-ol is sourced from PubChem (CID 168936928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).