(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone

C22H23F2N3O2 — CID 138039108

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H23F2N3O2/c23-17-13-15(14-18(24)21(17)25-9-11-29-12-10-25)22(28)27-8-7-26(16-5-6-16)19-3-1-2-4-20(19)27/h1-4,13-14,16H,5-12H2
InChIKeyGTTVKYCSLMKZNQ-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.43
Rot. Bonds3

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone (PubChem CID 138039108) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone
PubChem CID138039108
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone
SMILESO=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H23F2N3O2/c23-17-13-15(14-18(24)21(17)25-9-11-29-12-10-25)22(28)27-8-7-26(16-5-6-16)19-3-1-2-4-20(19)27/h1-4,13-14,16H,5-12H2
InChIKeyGTTVKYCSLMKZNQ-UHFFFAOYSA-N
XLogP3.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone with MolForge

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Related Compounds

(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 138039098
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3-methoxyphenyl)methanone
CID 110715186
(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 170439456
3,5-difluoro-4-(1,4-oxazepan-4-yl)benzoic acid
CID 63077385
1-[4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 110742540
(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
CID 170439418
methyl 1-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)cyclopropane-1-carboxylate
CID 118093547
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-(2,5-dichlorobenzoyl)piperidin-2-yl]methanone
CID 71661221
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
(4-cyclopropyl-6-fluoro-2,3-dihydroquinoxalin-1-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
CID 146090321
4-(2,6-difluorophenyl)morpholine;ethane
CID 156637338

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone (CID 138039108) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone is O=C(c1cc(F)c(N2CCOCC2)c(F)c1)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone?
The InChIKey is GTTVKYCSLMKZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-13-15(14-18(24)21(17)25-9-11-29-12-10-25)22(28)27-8-7-26(16-5-6-16)19-3-1-2-4-20(19)27/h1-4,13-14,16H,5-12H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone has a molecular weight of 399.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 138039108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).