[2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C19H18N2OS — CID 898403

IUPAC[2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)s1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-18(23-13)17-12-15(19(22)21-10-4-5-11-21)14-6-2-3-7-16(14)20-17/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyFOPCJACNGCGECH-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.51
Rot. Bonds2

About [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 898403) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID898403
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name[2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)s1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-18(23-13)17-12-15(19(22)21-10-4-5-11-21)14-6-2-3-7-16(14)20-17/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyFOPCJACNGCGECH-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 898403) is [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FOPCJACNGCGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-9-18(23-13)17-12-15(19(22)21-10-4-5-11-21)14-6-2-3-7-16(14)20-17/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 898403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).