[2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H18Cl2FNO2 — CID 59294513

IUPAC[2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)c1ccccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C23H18Cl2FNO2/c1-14-11-15-5-4-10-27(22(15)19(26)12-14)23(28)17-6-2-3-7-20(17)29-21-13-16(24)8-9-18(21)25/h2-3,6-9,11-13H,4-5,10H2,1H3
InChIKeyUKDPMMCNBBWMLL-UHFFFAOYSA-N
MW430.31 g/mol
LogP6.83
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 59294513) has the molecular formula C23H18Cl2FNO2 and a molecular weight of 430.31 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID59294513
Molecular FormulaC23H18Cl2FNO2
Molecular Weight430.31 g/mol
Exact Mass429.07
IUPAC Name[2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)c1ccccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C23H18Cl2FNO2/c1-14-11-15-5-4-10-27(22(15)19(26)12-14)23(28)17-6-2-3-7-20(17)29-21-13-16(24)8-9-18(21)25/h2-3,6-9,11-13H,4-5,10H2,1H3
InChIKeyUKDPMMCNBBWMLL-UHFFFAOYSA-N
XLogP6.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 59294513) is [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is UKDPMMCNBBWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FNO2/c1-14-11-15-5-4-10-27(22(15)19(26)12-14)23(28)17-6-2-3-7-20(17)29-21-13-16(24)8-9-18(21)25/h2-3,6-9,11-13H,4-5,10H2,1H3.
What are the key properties of [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 430.31 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)phenyl]-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 59294513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).