(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C21H21F3N2O2 — CID 138039163

IUPAC(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3c(F)c(F)cc(F)c32)ccc1N1CCOCC1
InChIInChI=1S/C21H21F3N2O2/c1-13-11-14(4-5-18(13)25-7-9-28-10-8-25)21(27)26-6-2-3-15-19(24)16(22)12-17(23)20(15)26/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyGILHBEGJTDAPBP-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.84
Rot. Bonds2

About (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 138039163) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID138039163
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCc3c(F)c(F)cc(F)c32)ccc1N1CCOCC1
InChIInChI=1S/C21H21F3N2O2/c1-13-11-14(4-5-18(13)25-7-9-28-10-8-25)21(27)26-6-2-3-15-19(24)16(22)12-17(23)20(15)26/h4-5,11-12H,2-3,6-10H2,1H3
InChIKeyGILHBEGJTDAPBP-UHFFFAOYSA-N
XLogP3.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
(3,5-difluoro-4-morpholin-4-ylphenyl)-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 138039098
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 131952772
(3-methyl-4-pyrrolidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 168513476
(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone
CID 704470
[3-(methylsulfanylmethyl)-2-pyridinyl]-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 154798835
2-cyclopropyl-1-[(1S,4S)-5-(3-methyl-4-morpholin-4-ylbenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
CID 167887586
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124587947
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone
CID 138039161
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(3-methyl-4-morpholin-4-ylphenyl)methanone
CID 135105249

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 138039163) is (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(C(=O)N2CCCc3c(F)c(F)cc(F)c32)ccc1N1CCOCC1.
What is the InChIKey of (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GILHBEGJTDAPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-13-11-14(4-5-18(13)25-7-9-28-10-8-25)21(27)26-6-2-3-15-19(24)16(22)12-17(23)20(15)26/h4-5,11-12H,2-3,6-10H2,1H3.
What are the key properties of (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 390.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-morpholin-4-ylphenyl)-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 138039163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).