(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C94H78Cl5FN6O6S4 — CID 158423552

IUPAC(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1[nH]c2ccccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1sc2cc(F)ccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.O=C(c1sc2ccccc2c1Cl)N1CCCc2ccccc21
InChIInChI=1S/C19H15ClFNOS.C19H17ClN2O.C19H16ClNO2S.C19H16ClNOS.C18H14ClNOS/c1-11-4-7-15-12(9-11)3-2-8-22(15)19(23)18-17(20)14-6-5-13(21)10-16(14)24-18;1-12-8-9-16-13(11-12)5-4-10-22(16)19(23)18-17(20)14-6-2-3-7-15(14)21-18;1-23-13-8-9-15-12(11-13)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)24-18;1-12-8-9-15-13(11-12)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)23-18;19-16-13-8-2-4-10-15(13)22-17(16)18(21)20-11-5-7-12-6-1-3-9-14(12)20/h4-7,9-10H,2-3,8H2,1H3;2-3,6-9,11,21H,4-5,10H2,1H3;2-3,6-9,11H,4-5,10H2,1H3;2-3,6-9,11H,4-5,10H2,1H3;1-4,6,8-10H,5,7,11H2
InChIKeyHATVGFNNBBDLGO-UHFFFAOYSA-N
MW1712.22 g/mol
LogP26.08
Rot. Bonds6

About (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 158423552) has the molecular formula C94H78Cl5FN6O6S4 and a molecular weight of 1712.22 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID158423552
Molecular FormulaC94H78Cl5FN6O6S4
Molecular Weight1712.22 g/mol
Exact Mass1708.33
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1[nH]c2ccccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1sc2cc(F)ccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.O=C(c1sc2ccccc2c1Cl)N1CCCc2ccccc21
InChIInChI=1S/C19H15ClFNOS.C19H17ClN2O.C19H16ClNO2S.C19H16ClNOS.C18H14ClNOS/c1-11-4-7-15-12(9-11)3-2-8-22(15)19(23)18-17(20)14-6-5-13(21)10-16(14)24-18;1-12-8-9-16-13(11-12)5-4-10-22(16)19(23)18-17(20)14-6-2-3-7-15(14)21-18;1-23-13-8-9-15-12(11-13)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)24-18;1-12-8-9-15-13(11-12)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)23-18;19-16-13-8-2-4-10-15(13)22-17(16)18(21)20-11-5-7-12-6-1-3-9-14(12)20/h4-7,9-10H,2-3,8H2,1H3;2-3,6-9,11,21H,4-5,10H2,1H3;2-3,6-9,11H,4-5,10H2,1H3;2-3,6-9,11H,4-5,10H2,1H3;1-4,6,8-10H,5,7,11H2
InChIKeyHATVGFNNBBDLGO-UHFFFAOYSA-N
XLogP26.08
TPSA126.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.22
LogP ≤ 526.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 158423552) is (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1[nH]c2ccccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1sc2cc(F)ccc2c1Cl.Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.O=C(c1sc2ccccc2c1Cl)N1CCCc2ccccc21.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HATVGFNNBBDLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNOS.C19H17ClN2O.C19H16ClNO2S.C19H16ClNOS.C18H14ClNOS/c1-11-4-7-15-12(9-11)3-2-8-22(15)19(23)18-17(20)14-6-5-13(21)10-16(14)24-18;1-12-8-9-16-13(11-12)5-4-10-22(16)19(23)18-17(20)14-6-2-3-7-15(14)21-18;1-23-13-8-9-15-12(11-13)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)24-18;1-12-8-9-15-13(11-12)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)23-18;19-16-13-8-2-4-10-15(13)22-17(16)18(21)20-11-5-7-12-6-1-3-9-14(12)20/h4-7,9-10H,2-3,8H2,1H3;2-3,6-9,11,21H,4-5,10H2,1H3;2-3,6-9,11H,4-5,10H2,1H3;2-3,6-9,11H,4-5,10H2,1H3;1-4,6,8-10H,5,7,11H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 1712.22 g/mol, XLogP of 26.08, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 158423552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).