1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline

C18H15ClFNS — CID 71115938

IUPAC1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline
SMILESFc1ccc2c(c1)CCCN2Cc1sc2ccccc2c1Cl
InChIInChI=1S/C18H15ClFNS/c19-18-14-5-1-2-6-16(14)22-17(18)11-21-9-3-4-12-10-13(20)7-8-15(12)21/h1-2,5-8,10H,3-4,9,11H2
InChIKeySDZWGORXUIAQHQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.65
Rot. Bonds2

About 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline

1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline (PubChem CID 71115938) has the molecular formula C18H15ClFNS and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline
PubChem CID71115938
Molecular FormulaC18H15ClFNS
Molecular Weight331.84 g/mol
Exact Mass331.06
IUPAC Name1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline
SMILESFc1ccc2c(c1)CCCN2Cc1sc2ccccc2c1Cl
InChIInChI=1S/C18H15ClFNS/c19-18-14-5-1-2-6-16(14)22-17(18)11-21-9-3-4-12-10-13(20)7-8-15(12)21/h1-2,5-8,10H,3-4,9,11H2
InChIKeySDZWGORXUIAQHQ-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

1-(3-chloro-1-benzothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 71115967
1-(1-Benzothien-2-ylmethyl)-4-(2-fluorophenyl)piperazine
CID 10042062
1-(1-Benzothiophen-7-yl)-4-[4-(2-chloro-4-fluorophenyl)sulfanylbutyl]piperazine
CID 10181399
1-(1-Benzothiophen-7-yl)-4-[3-(2-chloro-4-fluorophenyl)sulfanylpropyl]piperazine
CID 10223940
1-[(5-Chloro-1-benzothien-3-yl)methyl]-4-(2-fluorophenyl)piperazine
CID 10451194
1-(1-Benzothiophen-4-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
CID 57022295
1-Benzyl-4-(6-fluoro-1-benzothiophen-3-yl)piperazine
CID 57722525
(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71115929
4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 71721897
(3aS,4R,9bR)-4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 71721942
4-chloro-7-fluoro-1-methyl-2-phenyl-2H-[1]benzothiolo[3,2-b]pyridine
CID 123278545
(3aS,9bR)-4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 139420722

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline (CID 71115938) is 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline is Fc1ccc2c(c1)CCCN2Cc1sc2ccccc2c1Cl.
What is the InChIKey of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline?
The InChIKey is SDZWGORXUIAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNS/c19-18-14-5-1-2-6-16(14)22-17(18)11-21-9-3-4-12-10-13(20)7-8-15(12)21/h1-2,5-8,10H,3-4,9,11H2.
What are the key properties of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline?
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline has a molecular weight of 331.84 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-fluoro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 71115938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).