2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one

C25H25ClFN3O3 — CID 155127340

IUPAC2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)C(C)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)CC1
InChIInChI=1S/C25H25ClFN3O3/c1-3-24(31)29-10-12-30(13-11-29)25(32)16(2)33-18-5-7-21-19(8-9-28-23(21)15-18)20-6-4-17(27)14-22(20)26/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyHVJUGDYWEYNSBI-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.54
Rot. Bonds5

About 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one

2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 155127340) has the molecular formula C25H25ClFN3O3 and a molecular weight of 469.94 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
PubChem CID155127340
Molecular FormulaC25H25ClFN3O3
Molecular Weight469.94 g/mol
Exact Mass469.16
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)C(C)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)CC1
InChIInChI=1S/C25H25ClFN3O3/c1-3-24(31)29-10-12-30(13-11-29)25(32)16(2)33-18-5-7-21-19(8-9-28-23(21)15-18)20-6-4-17(27)14-22(20)26/h4-9,14-16H,3,10-13H2,1-2H3
InChIKeyHVJUGDYWEYNSBI-UHFFFAOYSA-N
XLogP4.54
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

ethyl 2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]pyrrolidin-3-yl]acetate
CID 155141286
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(3,5-dimethylpiperazin-1-yl)propan-1-one
CID 155127807
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
(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
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 155694760
[(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 164782115
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
CID 155127486
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
CID 155694759
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 155127499
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-pyridin-4-ylpropanamide
CID 155127650
2-[1-[2-[4-(2-chlorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-4-yl]acetic acid
CID 155127773
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 155127340) is 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C(=O)C(C)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)CC1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The InChIKey is HVJUGDYWEYNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O3/c1-3-24(31)29-10-12-30(13-11-29)25(32)16(2)33-18-5-7-21-19(8-9-28-23(21)15-18)20-6-4-17(27)14-22(20)26/h4-9,14-16H,3,10-13H2,1-2H3.
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one has a molecular weight of 469.94 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 155127340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).