[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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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
5-(2-methyl-1h-indol-1-yl)-N-propylthiophene-2-carboxamide
CID 44481106
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
N-[2-(diethylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2052939
(2-Phenyl-quinolin-4-yl)-pyrrolidin-1-yl-methanone
CID 757669
2-(Thiophen-2-yl)quinoline-4-carbohydrazide
CID 5102481
N-(3-cyanothiophen-2-yl)-2-methylquinoline-4-carboxamide
CID 2525578
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]quinoline-4-carboxamide
CID 5197629
2-(5-methyl-2-thienyl)-N'-[1-(3-pyridinyl)ethylidene]-4-quinolinecarbohydrazide
CID 5454993
2-{[6-(Pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroacridin-9-YL]sulfanyl}acetic acid
CID 6619731
1-[2-(4,8-Dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7743611

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).