2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide

C28H24FN3O3 — CID 15998048

IUPAC2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cnc4ccccc4c3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C28H24FN3O3/c1-35-23-12-10-22(11-13-23)32-26(33)15-14-24(27(32)18-6-8-20(29)9-7-18)28(34)31-21-16-19-4-2-3-5-25(19)30-17-21/h2-13,16-17,24,27H,14-15H2,1H3,(H,31,34)
InChIKeyPEFXYOANMOJCLN-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.51
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide

2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide (PubChem CID 15998048) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide
PubChem CID15998048
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cnc4ccccc4c3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C28H24FN3O3/c1-35-23-12-10-22(11-13-23)32-26(33)15-14-24(27(32)18-6-8-20(29)9-7-18)28(34)31-21-16-19-4-2-3-5-25(19)30-17-21/h2-13,16-17,24,27H,14-15H2,1H3,(H,31,34)
InChIKeyPEFXYOANMOJCLN-UHFFFAOYSA-N
XLogP5.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45488947
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CID 5299704
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CID 1012146
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CID 16432965
CID 16432965
CID 44533313
CID 44533313
CID 54575103
CID 54575103
CID 69084152
CID 69084152
CID 156869986
CID 156869986
CID 60164475
CID 60164475
CID 1261372
CID 1261372
CID 1261631
CID 1261631

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide (CID 15998048) is 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)Nc3cnc4ccccc4c3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide?
The InChIKey is PEFXYOANMOJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c1-35-23-12-10-22(11-13-23)32-26(33)15-14-24(27(32)18-6-8-20(29)9-7-18)28(34)31-21-16-19-4-2-3-5-25(19)30-17-21/h2-13,16-17,24,27H,14-15H2,1H3,(H,31,34).
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide?
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxo-N-quinolin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 15998048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).