cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride

C86H99BCl2N16O15 — CID 158644491

IUPACcyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1-c1cnn(C)c1.CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(-c3cnn(C)c3)c2c1.COc1ccc2ncc(C(=O)O)c(-c3cnn(C)c3)c2c1.Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C(C1CC1)N1CCNCC1
InChIInChI=1S/C23H25N5O3.C17H17N3O3.C15H13N3O3.C13H12ClNO3.C10H17BN2O2.C8H14N2O.ClH/c1-26-14-16(12-25-26)21-18-11-17(31-2)5-6-20(18)24-13-19(21)23(30)28-9-7-27(8-10-28)22(29)15-3-4-15;1-4-23-17(21)14-9-18-15-6-5-12(22-3)7-13(15)16(14)11-8-19-20(2)10-11;1-18-8-9(6-17-18)14-11-5-10(21-2)3-4-13(11)16-7-12(14)15(19)20;1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;11-8(7-1-2-7)10-5-3-9-4-6-10;/h5-6,11-15H,3-4,7-10H2,1-2H3;5-10H,4H2,1-3H3;3-8H,1-2H3,(H,19,20);4-7H,3H2,1-2H3;6-7H,1-5H3;7,9H,1-6H2;1H
InChIKeyKWARAPVEDPMIFP-UHFFFAOYSA-N
MW1678.55 g/mol
LogP11.54
Rot. Bonds16

About cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride

cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride (PubChem CID 158644491) has the molecular formula C86H99BCl2N16O15 and a molecular weight of 1678.55 g/mol. Its IUPAC name is cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
PubChem CID158644491
Molecular FormulaC86H99BCl2N16O15
Molecular Weight1678.55 g/mol
Exact Mass1676.69
IUPAC Namecyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1-c1cnn(C)c1.CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(-c3cnn(C)c3)c2c1.COc1ccc2ncc(C(=O)O)c(-c3cnn(C)c3)c2c1.Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C(C1CC1)N1CCNCC1
InChIInChI=1S/C23H25N5O3.C17H17N3O3.C15H13N3O3.C13H12ClNO3.C10H17BN2O2.C8H14N2O.ClH/c1-26-14-16(12-25-26)21-18-11-17(31-2)5-6-20(18)24-13-19(21)23(30)28-9-7-27(8-10-28)22(29)15-3-4-15;1-4-23-17(21)14-9-18-15-6-5-12(22-3)7-13(15)16(14)11-8-19-20(2)10-11;1-18-8-9(6-17-18)14-11-5-10(21-2)3-4-13(11)16-7-12(14)15(19)20;1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;11-8(7-1-2-7)10-5-3-9-4-6-10;/h5-6,11-15H,3-4,7-10H2,1-2H3;5-10H,4H2,1-3H3;3-8H,1-2H3,(H,19,20);4-7H,3H2,1-2H3;6-7H,1-5H3;7,9H,1-6H2;1H
InChIKeyKWARAPVEDPMIFP-UHFFFAOYSA-N
XLogP11.54
TPSA341.08 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.55
LogP ≤ 511.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?
The IUPAC name of cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride (CID 158644491) is cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?
The canonical SMILES for cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride is CCOC(=O)c1cnc2ccc(OC)cc2c1-c1cnn(C)c1.CCOC(=O)c1cnc2ccc(OC)cc2c1Cl.COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(-c3cnn(C)c3)c2c1.COc1ccc2ncc(C(=O)O)c(-c3cnn(C)c3)c2c1.Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C(C1CC1)N1CCNCC1.
What is the InChIKey of cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?
The InChIKey is KWARAPVEDPMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3.C17H17N3O3.C15H13N3O3.C13H12ClNO3.C10H17BN2O2.C8H14N2O.ClH/c1-26-14-16(12-25-26)21-18-11-17(31-2)5-6-20(18)24-13-19(21)23(30)28-9-7-27(8-10-28)22(29)15-3-4-15;1-4-23-17(21)14-9-18-15-6-5-12(22-3)7-13(15)16(14)11-8-19-20(2)10-11;1-18-8-9(6-17-18)14-11-5-10(21-2)3-4-13(11)16-7-12(14)15(19)20;1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;11-8(7-1-2-7)10-5-3-9-4-6-10;/h5-6,11-15H,3-4,7-10H2,1-2H3;5-10H,4H2,1-3H3;3-8H,1-2H3,(H,19,20);4-7H,3H2,1-2H3;6-7H,1-5H3;7,9H,1-6H2;1H.
What are the key properties of cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?
cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride has a molecular weight of 1678.55 g/mol, XLogP of 11.54, 16 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride is sourced from PubChem (CID 158644491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).