2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one

C23H21Cl2FN2O2 — CID 155694760

IUPAC2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc2c(-c3c(Cl)cc(F)cc3Cl)ccnc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C23H21Cl2FN2O2/c1-14(23(29)28-9-3-2-4-10-28)30-16-5-6-17-18(7-8-27-21(17)13-16)22-19(24)11-15(26)12-20(22)25/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyOPAHZMUTJZFRKD-UHFFFAOYSA-N
MW447.34 g/mol
LogP6.13
Rot. Bonds4

About 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one

2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one (PubChem CID 155694760) has the molecular formula C23H21Cl2FN2O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
PubChem CID155694760
Molecular FormulaC23H21Cl2FN2O2
Molecular Weight447.34 g/mol
Exact Mass446.10
IUPAC Name2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc2c(-c3c(Cl)cc(F)cc3Cl)ccnc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C23H21Cl2FN2O2/c1-14(23(29)28-9-3-2-4-10-28)30-16-5-6-17-18(7-8-27-21(17)13-16)22-19(24)11-15(26)12-20(22)25/h5-8,11-14H,2-4,9-10H2,1H3
InChIKeyOPAHZMUTJZFRKD-UHFFFAOYSA-N
XLogP6.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
CID 155694759
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770
(2R)-2-[4-(4-fluoro-2,6-dimethylphenyl)quinolin-7-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 155127647
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 155127340
2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 170264478
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(2-oxa-8-azaspiro[3.5]nonan-8-yl)propan-1-one
CID 155127567
[(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 164782115
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(3,5-dimethylpiperazin-1-yl)propan-1-one
CID 155127807
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
2-[1-[2-[4-(2-chlorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-4-yl]acetic acid
CID 155127773
ethyl 2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]pyrrolidin-3-yl]acetate
CID 155141286

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one (CID 155694760) is 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one is CC(Oc1ccc2c(-c3c(Cl)cc(F)cc3Cl)ccnc2c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is OPAHZMUTJZFRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O2/c1-14(23(29)28-9-3-2-4-10-28)30-16-5-6-17-18(7-8-27-21(17)13-16)22-19(24)11-15(26)12-20(22)25/h5-8,11-14H,2-4,9-10H2,1H3.
What are the key properties of 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 447.34 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 155694760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).