3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

C22H23ClFN3O2 — CID 45256359

IUPAC3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C1CCc2ccc(CN3CCC(NC(=O)c4cc(F)cc(Cl)c4)CC3)cc2N1
InChIInChI=1S/C22H23ClFN3O2/c23-17-10-16(11-18(24)12-17)22(29)25-19-5-7-27(8-6-19)13-14-1-2-15-3-4-21(28)26-20(15)9-14/h1-2,9-12,19H,3-8,13H2,(H,25,29)(H,26,28)
InChIKeyXRXORUHBMVEKNQ-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.76
Rot. Bonds4

About 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 45256359) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
PubChem CID45256359
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC Name3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C1CCc2ccc(CN3CCC(NC(=O)c4cc(F)cc(Cl)c4)CC3)cc2N1
InChIInChI=1S/C22H23ClFN3O2/c23-17-10-16(11-18(24)12-17)22(29)25-19-5-7-27(8-6-19)13-14-1-2-15-3-4-21(28)26-20(15)9-14/h1-2,9-12,19H,3-8,13H2,(H,25,29)(H,26,28)
InChIKeyXRXORUHBMVEKNQ-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256172
2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265536
N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 142763739
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265537
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 87283781
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 84591356

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (CID 45256359) is 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is O=C1CCc2ccc(CN3CCC(NC(=O)c4cc(F)cc(Cl)c4)CC3)cc2N1.
What is the InChIKey of 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is XRXORUHBMVEKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c23-17-10-16(11-18(24)12-17)22(29)25-19-5-7-27(8-6-19)13-14-1-2-15-3-4-21(28)26-20(15)9-14/h1-2,9-12,19H,3-8,13H2,(H,25,29)(H,26,28).
What are the key properties of 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 415.90 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 45256359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).