(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone

C26H23FN2OS — CID 42750188

IUPAC(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccc(F)cc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H23FN2OS/c27-20-8-9-23-21(16-20)22(17-24(28-23)25-7-4-14-31-25)26(30)29-12-10-19(11-13-29)15-18-5-2-1-3-6-18/h1-9,14,16-17,19H,10-13,15H2
InChIKeyVXIFBYBZCNSAQP-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.20
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone

(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 42750188) has the molecular formula C26H23FN2OS and a molecular weight of 430.55 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID42750188
Molecular FormulaC26H23FN2OS
Molecular Weight430.55 g/mol
Exact Mass430.15
IUPAC Name(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccc(F)cc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H23FN2OS/c27-20-8-9-23-21(16-20)22(17-24(28-23)25-7-4-14-31-25)26(30)29-12-10-19(11-13-29)15-18-5-2-1-3-6-18/h1-9,14,16-17,19H,10-13,15H2
InChIKeyVXIFBYBZCNSAQP-UHFFFAOYSA-N
XLogP6.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

(6-fluoro-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
CID 1166469
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 93097670
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone (CID 42750188) is (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccs2)nc2ccc(F)cc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is VXIFBYBZCNSAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2OS/c27-20-8-9-23-21(16-20)22(17-24(28-23)25-7-4-14-31-25)26(30)29-12-10-19(11-13-29)15-18-5-2-1-3-6-18/h1-9,14,16-17,19H,10-13,15H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 430.55 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 42750188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).