1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one

C23H21Cl2FN2O — CID 146794529

IUPAC1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(c2ccnc3ccc(F)cc23)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl2FN2O/c24-19-4-2-16(13-20(19)25)23(29)6-1-15-8-11-28(12-9-15)22-7-10-27-21-5-3-17(26)14-18(21)22/h2-5,7,10,13-15H,1,6,8-9,11-12H2
InChIKeyRWMNGOGIVLKZEF-UHFFFAOYSA-N
MW431.34 g/mol
LogP6.56
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one

1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one (PubChem CID 146794529) has the molecular formula C23H21Cl2FN2O and a molecular weight of 431.34 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
PubChem CID146794529
Molecular FormulaC23H21Cl2FN2O
Molecular Weight431.34 g/mol
Exact Mass430.10
IUPAC Name1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(c2ccnc3ccc(F)cc23)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H21Cl2FN2O/c24-19-4-2-16(13-20(19)25)23(29)6-1-15-8-11-28(12-9-15)22-7-10-27-21-5-3-17(26)14-18(21)22/h2-5,7,10,13-15H,1,6,8-9,11-12H2
InChIKeyRWMNGOGIVLKZEF-UHFFFAOYSA-N
XLogP6.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
1-(4-chlorophenyl)-4-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]pentan-2-one
CID 162228825
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one (CID 146794529) is 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(c2ccnc3ccc(F)cc23)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one?
The InChIKey is RWMNGOGIVLKZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O/c24-19-4-2-16(13-20(19)25)23(29)6-1-15-8-11-28(12-9-15)22-7-10-27-21-5-3-17(26)14-18(21)22/h2-5,7,10,13-15H,1,6,8-9,11-12H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one?
1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one has a molecular weight of 431.34 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 146794529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).