[(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C117H104Cl5F4N11O11 — CID 161358608

IUPAC[(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESN#Cc1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(F)(F)F)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccc(F)cc34)c2O1)N1CCCCC1.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4c3C=CC4)c2O1)N1CCCCC1
InChIInChI=1S/C24H20ClF3N2O2.C24H20ClN3O2.C24H23ClN2O3.C23H20ClFN2O2.C22H21ClN2O2/c25-16-10-14-11-21(23(31)30-8-2-1-3-9-30)32-22(14)19(13-16)17-6-7-29-20-12-15(24(26,27)28)4-5-18(17)20;25-17-11-16-12-22(24(29)28-8-2-1-3-9-28)30-23(16)20(13-17)18-6-7-27-21-10-15(14-26)4-5-19(18)21;25-17-11-16-12-22(24(29)27-8-2-1-3-9-27)30-23(16)20(13-17)18-6-7-26-21-10-15(14-28)4-5-19(18)21;24-15-10-14-11-21(23(28)27-8-2-1-3-9-27)29-22(14)19(12-15)17-6-7-26-20-5-4-16(25)13-18(17)20;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h4-7,10,12-13,21H,1-3,8-9,11H2;4-7,10-11,13,22H,1-3,8-9,12H2;4-7,10-11,13,22,28H,1-3,8-9,12,14H2;4-7,10,12-13,21H,1-3,8-9,11H2;4-5,7-8,11,13,20H,1-3,6,9-10,12H2/t;;;;20-/m....1/s1
InChIKeyVOWIBWYEQCGSGB-RSBHAWHXSA-N
MW2093.44 g/mol
LogP24.29
Rot. Bonds11

About [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

[(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 161358608) has the molecular formula C117H104Cl5F4N11O11 and a molecular weight of 2093.44 g/mol. Its IUPAC name is [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
PubChem CID161358608
Molecular FormulaC117H104Cl5F4N11O11
Molecular Weight2093.44 g/mol
Exact Mass2089.63
IUPAC Name[(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESN#Cc1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(F)(F)F)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccc(F)cc34)c2O1)N1CCCCC1.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4c3C=CC4)c2O1)N1CCCCC1
InChIInChI=1S/C24H20ClF3N2O2.C24H20ClN3O2.C24H23ClN2O3.C23H20ClFN2O2.C22H21ClN2O2/c25-16-10-14-11-21(23(31)30-8-2-1-3-9-30)32-22(14)19(13-16)17-6-7-29-20-12-15(24(26,27)28)4-5-18(17)20;25-17-11-16-12-22(24(29)28-8-2-1-3-9-28)30-23(16)20(13-17)18-6-7-27-21-10-15(14-26)4-5-19(18)21;25-17-11-16-12-22(24(29)27-8-2-1-3-9-27)30-23(16)20(13-17)18-6-7-26-21-10-15(14-28)4-5-19(18)21;24-15-10-14-11-21(23(28)27-8-2-1-3-9-27)29-22(14)19(12-15)17-6-7-26-20-5-4-16(25)13-18(17)20;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h4-7,10,12-13,21H,1-3,8-9,11H2;4-7,10-11,13,22H,1-3,8-9,12H2;4-7,10-11,13,22,28H,1-3,8-9,12,14H2;4-7,10,12-13,21H,1-3,8-9,11H2;4-5,7-8,11,13,20H,1-3,6,9-10,12H2/t;;;;20-/m....1/s1
InChIKeyVOWIBWYEQCGSGB-RSBHAWHXSA-N
XLogP24.29
TPSA256.17 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002093.44
LogP ≤ 524.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-Chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158478506
[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158968591
[5-chloro-7-(8-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-6-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;methyl 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carboxylate
CID 159182252
[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 159445894
[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-6-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 159719822
[(2S)-5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[(2R)-5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 160276632
[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 162015198
[5-Chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157311463
[(2S)-5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[(2R)-5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 158093362
[(2S)-5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[(2R)-5-chloro-7-quinolin-4-yl-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 158212395
[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(3-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158529413
[5-chloro-7-(8-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(8-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-6-carbonitrile;methyl 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carboxylate
CID 159068684

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 161358608) is [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(F)(F)F)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccc(F)cc34)c2O1)N1CCCCC1.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4c3C=CC4)c2O1)N1CCCCC1.
What is the InChIKey of [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The InChIKey is VOWIBWYEQCGSGB-RSBHAWHXSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2.C24H20ClN3O2.C24H23ClN2O3.C23H20ClFN2O2.C22H21ClN2O2/c25-16-10-14-11-21(23(31)30-8-2-1-3-9-30)32-22(14)19(13-16)17-6-7-29-20-12-15(24(26,27)28)4-5-18(17)20;25-17-11-16-12-22(24(29)28-8-2-1-3-9-28)30-23(16)20(13-17)18-6-7-27-21-10-15(14-26)4-5-19(18)21;25-17-11-16-12-22(24(29)27-8-2-1-3-9-27)30-23(16)20(13-17)18-6-7-26-21-10-15(14-28)4-5-19(18)21;24-15-10-14-11-21(23(28)27-8-2-1-3-9-27)29-22(14)19(12-15)17-6-7-26-20-5-4-16(25)13-18(17)20;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h4-7,10,12-13,21H,1-3,8-9,11H2;4-7,10-11,13,22H,1-3,8-9,12H2;4-7,10-11,13,22,28H,1-3,8-9,12,14H2;4-7,10,12-13,21H,1-3,8-9,11H2;4-5,7-8,11,13,20H,1-3,6,9-10,12H2/t;;;;20-/m....1/s1.
What are the key properties of [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
[(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2093.44 g/mol, XLogP of 24.29, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-chloro-7-(7H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(hydroxymethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinoline-7-carbonitrile;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 161358608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).