[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C20H20F2N2O2 — CID 120983074

IUPAC[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-14-8-9-18-13(12-14)4-3-11-24(18)19(25)16-5-1-7-17-15(16)6-2-10-23-17/h1,5,7-9,12,20,23H,2-4,6,10-11H2
InChIKeyUTXKGABRWWMISC-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.24
Rot. Bonds3

About [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 120983074) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID120983074
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CCCc2cc(OC(F)F)ccc21
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-14-8-9-18-13(12-14)4-3-11-24(18)19(25)16-5-1-7-17-15(16)6-2-10-23-17/h1,5,7-9,12,20,23H,2-4,6,10-11H2
InChIKeyUTXKGABRWWMISC-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone with MolForge

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Related Compounds

[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24655662
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
CID 16792853
[4-(difluoromethoxy)phenyl]-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17414251
1,3-dihydroisoindol-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850424
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550
3-fluoro-4-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CID 120550731
1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 62848480
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 103355979
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 120983074) is [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cccc2c1CCCN2)N1CCCc2cc(OC(F)F)ccc21.
What is the InChIKey of [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is UTXKGABRWWMISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-20(22)26-14-8-9-18-13(12-14)4-3-11-24(18)19(25)16-5-1-7-17-15(16)6-2-10-23-17/h1,5,7-9,12,20,23H,2-4,6,10-11H2.
What are the key properties of [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 358.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 120983074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).