8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride

C88H108Cl4N12O13 — CID 157224057

IUPAC8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride
SMILESC1CCC2(C1)CCNCC2.CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(Cl)c2c1.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CCCC4)CC3)c2c1.COc1ccc2ncc(C(=O)O)c(Cl)c2c1.Cl.O=C(C1CC1)N1CCNCC1
InChIInChI=1S/C28H36N4O3.C19H20ClN3O3.C13H12ClNO3.C11H8ClNO3.C9H17N.C8H14N2O.ClH/c1-35-21-6-7-24-22(18-21)25(30-12-10-28(11-13-30)8-2-3-9-28)23(19-29-24)27(34)32-16-14-31(15-17-32)26(33)20-4-5-20;1-26-13-4-5-16-14(10-13)17(20)15(11-21-16)19(25)23-8-6-22(7-9-23)18(24)12-2-3-12;1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14;1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15;1-2-4-9(3-1)5-7-10-8-6-9;11-8(7-1-2-7)10-5-3-9-4-6-10;/h6-7,18-20H,2-5,8-17H2,1H3;4-5,10-12H,2-3,6-9H2,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,14,15);10H,1-8H2;7,9H,1-6H2;1H
InChIKeyYLSBOLIVLQHFPZ-UHFFFAOYSA-N
MW1683.71 g/mol
LogP14.54
Rot. Bonds13

About 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride

8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride (PubChem CID 157224057) has the molecular formula C88H108Cl4N12O13 and a molecular weight of 1683.71 g/mol. Its IUPAC name is 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride
PubChem CID157224057
Molecular FormulaC88H108Cl4N12O13
Molecular Weight1683.71 g/mol
Exact Mass1680.69
IUPAC Name8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride
SMILESC1CCC2(C1)CCNCC2.CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(Cl)c2c1.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CCCC4)CC3)c2c1.COc1ccc2ncc(C(=O)O)c(Cl)c2c1.Cl.O=C(C1CC1)N1CCNCC1
InChIInChI=1S/C28H36N4O3.C19H20ClN3O3.C13H12ClNO3.C11H8ClNO3.C9H17N.C8H14N2O.ClH/c1-35-21-6-7-24-22(18-21)25(30-12-10-28(11-13-30)8-2-3-9-28)23(19-29-24)27(34)32-16-14-31(15-17-32)26(33)20-4-5-20;1-26-13-4-5-16-14(10-13)17(20)15(11-21-16)19(25)23-8-6-22(7-9-23)18(24)12-2-3-12;1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14;1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15;1-2-4-9(3-1)5-7-10-8-6-9;11-8(7-1-2-7)10-5-3-9-4-6-10;/h6-7,18-20H,2-5,8-17H2,1H3;4-5,10-12H,2-3,6-9H2,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,14,15);10H,1-8H2;7,9H,1-6H2;1H
InChIKeyYLSBOLIVLQHFPZ-UHFFFAOYSA-N
XLogP14.54
TPSA280.93 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.71
LogP ≤ 514.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride?
The IUPAC name of 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride (CID 157224057) is 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride is C1CCC2(C1)CCNCC2.CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(Cl)c2c1.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC4(CCCC4)CC3)c2c1.COc1ccc2ncc(C(=O)O)c(Cl)c2c1.Cl.O=C(C1CC1)N1CCNCC1.
What is the InChIKey of 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride?
The InChIKey is YLSBOLIVLQHFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3.C19H20ClN3O3.C13H12ClNO3.C11H8ClNO3.C9H17N.C8H14N2O.ClH/c1-35-21-6-7-24-22(18-21)25(30-12-10-28(11-13-30)8-2-3-9-28)23(19-29-24)27(34)32-16-14-31(15-17-32)26(33)20-4-5-20;1-26-13-4-5-16-14(10-13)17(20)15(11-21-16)19(25)23-8-6-22(7-9-23)18(24)12-2-3-12;1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14;1-16-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15;1-2-4-9(3-1)5-7-10-8-6-9;11-8(7-1-2-7)10-5-3-9-4-6-10;/h6-7,18-20H,2-5,8-17H2,1H3;4-5,10-12H,2-3,6-9H2,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,14,15);10H,1-8H2;7,9H,1-6H2;1H.
What are the key properties of 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride?
8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride has a molecular weight of 1683.71 g/mol, XLogP of 14.54, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decane;[4-[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone;[4-(4-chloro-6-methoxyquinoline-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone;4-chloro-6-methoxyquinoline-3-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 157224057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).