1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione

C18H19NO2S — CID 34225063

IUPAC1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESCc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H19NO2S/c1-13-6-7-15-14(12-13)4-2-10-19(15)18(21)9-8-16(20)17-5-3-11-22-17/h3,5-7,11-12H,2,4,8-10H2,1H3
InChIKeyIUCFOAIZURWLOA-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.00
Rot. Bonds4

About 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 34225063) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
PubChem CID34225063
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESCc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C18H19NO2S/c1-13-6-7-15-14(12-13)4-2-10-19(15)18(21)9-8-16(20)17-5-3-11-22-17/h3,5-7,11-12H,2,4,8-10H2,1H3
InChIKeyIUCFOAIZURWLOA-UHFFFAOYSA-N
XLogP4.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione with MolForge

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Related Compounds

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
CID 60598985
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62211207
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione (CID 34225063) is 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione is Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1cccs1.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is IUCFOAIZURWLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-13-6-7-15-14(12-13)4-2-10-19(15)18(21)9-8-16(20)17-5-3-11-22-17/h3,5-7,11-12H,2,4,8-10H2,1H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione?
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 313.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 34225063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).