[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

C120H107Cl5F4N12O12 — CID 159719822

IUPAC[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
SMILESCNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.N#Cc1ccc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2c1.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
InChIInChI=1S/C25H24ClN3O3.C24H20ClF3N2O2.C24H20ClN3O2.C24H23ClN2O3.C23H20ClFN2O2/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29;25-16-10-14-11-21(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)18-6-7-27-21-5-4-15(14-26)10-19(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/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30);4-7,10,12-13,21H,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
InChIKeyMZWVJUXHWCTAKI-UHFFFAOYSA-N
MW2162.50 g/mol
LogP24.24
Rot. Bonds12

About [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

[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 (PubChem CID 159719822) has the molecular formula C120H107Cl5F4N12O12 and a molecular weight of 2162.50 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159719822
Molecular FormulaC120H107Cl5F4N12O12
Molecular Weight2162.50 g/mol
Exact Mass2158.65
IUPAC Name[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
SMILESCNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.N#Cc1ccc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2c1.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
InChIInChI=1S/C25H24ClN3O3.C24H20ClF3N2O2.C24H20ClN3O2.C24H23ClN2O3.C23H20ClFN2O2/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29;25-16-10-14-11-21(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)18-6-7-27-21-5-4-15(14-26)10-19(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/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30);4-7,10,12-13,21H,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
InChIKeyMZWVJUXHWCTAKI-UHFFFAOYSA-N
XLogP24.24
TPSA285.27 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002162.50
LogP ≤ 524.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze [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 with MolForge

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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
[(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
[(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
[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
[(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
[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-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;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylthieno[3,2-b]pyridine-2-carboxamide;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridine-2-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 158237217
[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
4-[(2S)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;4-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide
CID 159116726

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.N#Cc1ccc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2c1.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.
What is the InChIKey of [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?
The InChIKey is MZWVJUXHWCTAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3.C24H20ClF3N2O2.C24H20ClN3O2.C24H23ClN2O3.C23H20ClFN2O2/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29;25-16-10-14-11-21(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)18-6-7-27-21-5-4-15(14-26)10-19(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/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30);4-7,10,12-13,21H,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.
What are the key properties of [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?
[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 has a molecular weight of 2162.50 g/mol, XLogP of 24.24, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159719822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).