piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone

C19H18N2OS — CID 42749462

IUPACpiperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C19H18N2OS/c22-19(21-9-4-1-5-10-21)16-12-18(14-8-11-23-13-14)20-17-7-3-2-6-15(16)17/h2-3,6-8,11-13H,1,4-5,9-10H2
InChIKeyKGCBHBJZNFFQFQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.59
Rot. Bonds2

About piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone

piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone (PubChem CID 42749462) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
PubChem CID42749462
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Namepiperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)nc2ccccc12)N1CCCCC1
InChIInChI=1S/C19H18N2OS/c22-19(21-9-4-1-5-10-21)16-12-18(14-8-11-23-13-14)20-17-7-3-2-6-15(16)17/h2-3,6-8,11-13H,1,4-5,9-10H2
InChIKeyKGCBHBJZNFFQFQ-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
(4-benzylpiperazin-1-yl)-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 3548276
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749891

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone (CID 42749462) is piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccsc2)nc2ccccc12)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone?
The InChIKey is KGCBHBJZNFFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c22-19(21-9-4-1-5-10-21)16-12-18(14-8-11-23-13-14)20-17-7-3-2-6-15(16)17/h2-3,6-8,11-13H,1,4-5,9-10H2.
What are the key properties of piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone?
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone has a molecular weight of 322.43 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 42749462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).