(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C19H21NO2S — CID 154755787

IUPAC(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCOC1Cc2ccccc2N(C(=O)c2cc3c(s2)CCCC3)C1
InChIInChI=1S/C19H21NO2S/c1-22-15-10-13-6-2-4-8-16(13)20(12-15)19(21)18-11-14-7-3-5-9-17(14)23-18/h2,4,6,8,11,15H,3,5,7,9-10,12H2,1H3
InChIKeyWDZGBNWYOJLJCR-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.84
Rot. Bonds2

About (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 154755787) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID154755787
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCOC1Cc2ccccc2N(C(=O)c2cc3c(s2)CCCC3)C1
InChIInChI=1S/C19H21NO2S/c1-22-15-10-13-6-2-4-8-16(13)20(12-15)19(21)18-11-14-7-3-5-9-17(14)23-18/h2,4,6,8,11,15H,3,5,7,9-10,12H2,1H3
InChIKeyWDZGBNWYOJLJCR-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 7494639
piperidin-1-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 17466523
piperidin-1-yl-[(2R)-4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methanone
CID 8944893
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97137286
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238472
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23972121
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 51125676
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55339840
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317
(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 25236977

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 154755787) is (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is COC1Cc2ccccc2N(C(=O)c2cc3c(s2)CCCC3)C1.
What is the InChIKey of (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is WDZGBNWYOJLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-22-15-10-13-6-2-4-8-16(13)20(12-15)19(21)18-11-14-7-3-5-9-17(14)23-18/h2,4,6,8,11,15H,3,5,7,9-10,12H2,1H3.
What are the key properties of (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 327.45 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 154755787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).