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

C18H17F2NO2 — CID 24655662

IUPAC[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H17F2NO2/c1-12-7-8-16-13(10-12)5-3-9-21(16)17(22)14-4-2-6-15(11-14)23-18(19)20/h2,4,6-8,10-11,18H,3,5,9H2,1H3
InChIKeyIPCXZALXGGMERO-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.19
Rot. Bonds3

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

[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 24655662) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID24655662
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC Name[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H17F2NO2/c1-12-7-8-16-13(10-12)5-3-9-21(16)17(22)14-4-2-6-15(11-14)23-18(19)20/h2,4,6-8,10-11,18H,3,5,9H2,1H3
InChIKeyIPCXZALXGGMERO-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27829776
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
[4-(difluoromethylsulfonyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083698
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 24655662) is [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IPCXZALXGGMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-12-7-8-16-13(10-12)5-3-9-21(16)17(22)14-4-2-6-15(11-14)23-18(19)20/h2,4,6-8,10-11,18H,3,5,9H2,1H3.
What are the key properties of [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 317.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 24655662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).