6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one

C88H115N9O7 — CID 158002657

IUPAC6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one
SMILESCCc1cc2cc(C(C3CCCCC3)N3CCC(O)CC3)ccc2[nH]c1=O.CCc1cc2cc(C(C3CCCCCC3)N3CCC(=O)CC3)ccc2[nH]c1=O.CCc1cc2cc(C(O)CN3CCCCC3)ccc2[nH]c1=O.CCc1cc2cc(CN3CCN(Cc4ccccc4)CC3)ccc2[nH]c1=O
InChIInChI=1S/C24H32N2O2.C23H27N3O.C23H32N2O2.C18H24N2O2/c1-2-17-15-20-16-19(9-10-22(20)25-24(17)28)23(18-7-5-3-4-6-8-18)26-13-11-21(27)12-14-26;1-2-20-15-21-14-19(8-9-22(21)24-23(20)27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18;1-2-16-14-19-15-18(8-9-21(19)24-23(16)27)22(17-6-4-3-5-7-17)25-12-10-20(26)11-13-25;1-2-13-10-15-11-14(6-7-16(15)19-18(13)22)17(21)12-20-8-4-3-5-9-20/h9-10,15-16,18,23H,2-8,11-14H2,1H3,(H,25,28);3-9,14-15H,2,10-13,16-17H2,1H3,(H,24,27);8-9,14-15,17,20,22,26H,2-7,10-13H2,1H3,(H,24,27);6-7,10-11,17,21H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyFDXNBOWMPFTQRI-UHFFFAOYSA-N
MW1410.94 g/mol
LogP14.95
Rot. Bonds17

About 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one

6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one (PubChem CID 158002657) has the molecular formula C88H115N9O7 and a molecular weight of 1410.94 g/mol. Its IUPAC name is 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one
PubChem CID158002657
Molecular FormulaC88H115N9O7
Molecular Weight1410.94 g/mol
Exact Mass1409.89
IUPAC Name6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one
SMILESCCc1cc2cc(C(C3CCCCC3)N3CCC(O)CC3)ccc2[nH]c1=O.CCc1cc2cc(C(C3CCCCCC3)N3CCC(=O)CC3)ccc2[nH]c1=O.CCc1cc2cc(C(O)CN3CCCCC3)ccc2[nH]c1=O.CCc1cc2cc(CN3CCN(Cc4ccccc4)CC3)ccc2[nH]c1=O
InChIInChI=1S/C24H32N2O2.C23H27N3O.C23H32N2O2.C18H24N2O2/c1-2-17-15-20-16-19(9-10-22(20)25-24(17)28)23(18-7-5-3-4-6-8-18)26-13-11-21(27)12-14-26;1-2-20-15-21-14-19(8-9-22(21)24-23(20)27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18;1-2-16-14-19-15-18(8-9-21(19)24-23(16)27)22(17-6-4-3-5-7-17)25-12-10-20(26)11-13-25;1-2-13-10-15-11-14(6-7-16(15)19-18(13)22)17(21)12-20-8-4-3-5-9-20/h9-10,15-16,18,23H,2-8,11-14H2,1H3,(H,25,28);3-9,14-15H,2,10-13,16-17H2,1H3,(H,24,27);8-9,14-15,17,20,22,26H,2-7,10-13H2,1H3,(H,24,27);6-7,10-11,17,21H,2-5,8-9,12H2,1H3,(H,19,22)
InChIKeyFDXNBOWMPFTQRI-UHFFFAOYSA-N
XLogP14.95
TPSA205.17 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001410.94
LogP ≤ 514.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one (CID 158002657) is 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one is CCc1cc2cc(C(C3CCCCC3)N3CCC(O)CC3)ccc2[nH]c1=O.CCc1cc2cc(C(C3CCCCCC3)N3CCC(=O)CC3)ccc2[nH]c1=O.CCc1cc2cc(C(O)CN3CCCCC3)ccc2[nH]c1=O.CCc1cc2cc(CN3CCN(Cc4ccccc4)CC3)ccc2[nH]c1=O.
What is the InChIKey of 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one?
The InChIKey is FDXNBOWMPFTQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.C23H27N3O.C23H32N2O2.C18H24N2O2/c1-2-17-15-20-16-19(9-10-22(20)25-24(17)28)23(18-7-5-3-4-6-8-18)26-13-11-21(27)12-14-26;1-2-20-15-21-14-19(8-9-22(21)24-23(20)27)17-26-12-10-25(11-13-26)16-18-6-4-3-5-7-18;1-2-16-14-19-15-18(8-9-21(19)24-23(16)27)22(17-6-4-3-5-7-17)25-12-10-20(26)11-13-25;1-2-13-10-15-11-14(6-7-16(15)19-18(13)22)17(21)12-20-8-4-3-5-9-20/h9-10,15-16,18,23H,2-8,11-14H2,1H3,(H,25,28);3-9,14-15H,2,10-13,16-17H2,1H3,(H,24,27);8-9,14-15,17,20,22,26H,2-7,10-13H2,1H3,(H,24,27);6-7,10-11,17,21H,2-5,8-9,12H2,1H3,(H,19,22).
What are the key properties of 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one?
6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one has a molecular weight of 1410.94 g/mol, XLogP of 14.95, 17 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperazin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cycloheptyl-(4-oxopiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;6-[cyclohexyl-(4-hydroxypiperidin-1-yl)methyl]-3-ethyl-1H-quinolin-2-one;3-ethyl-6-(1-hydroxy-2-piperidin-1-ylethyl)-1H-quinolin-2-one is sourced from PubChem (CID 158002657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).