acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride

C121H140BBr4Cl3FN9O24Sn — CID 159863366

IUPACacetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride
SMILESCC#N.CCOC(=O)CC(C)OCC.CCOC(=O)c1cnc2cc(CCCOC)c(Br)cc2c1.CCOC(=O)c1cnc2cc(CCCOC)c(C3CC3)cc2c1.CNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2nc(CCCOC)c(C3CC3)cc2c1.COCCCc1cc([N+](=O)[O-])c(C=O)cc1Br.COCCCc1cc2ncc(C(=O)O)cc2cc1C1CC1.Cl.Cl[Sn]Cl.Nc1cc([N+](=O)[O-])c(C=O)cc1Br.O=Cc1ccc(F)c(Br)c1.OB(O)C1CC1
InChIInChI=1S/C31H32N2O2.C19H23NO3.C17H19NO3.C16H18BrNO3.C11H12BrNO4.C8H16O3.C7H4BrFO.C7H5BrN2O3.C3H7BO2.C2H3N.3ClH.Sn/c1-32-28-14-12-23(21-7-4-3-5-8-21)17-26(28)20-31(34)24-13-15-29-25(18-24)19-27(22-10-11-22)30(33-29)9-6-16-35-2;1-3-23-19(21)16-9-15-10-17(13-6-7-13)14(5-4-8-22-2)11-18(15)20-12-16;1-21-6-2-3-12-9-16-13(8-15(12)11-4-5-11)7-14(10-18-16)17(19)20;1-3-21-16(19)13-7-12-8-14(17)11(5-4-6-20-2)9-15(12)18-10-13;1-17-4-2-3-8-6-11(13(15)16)9(7-14)5-10(8)12;1-4-10-7(3)6-8(9)11-5-2;8-6-3-5(4-10)1-2-7(6)9;8-5-1-4(3-11)7(10(12)13)2-6(5)9;5-4(6)3-1-2-3;1-2-3;;;;/h3-5,7-8,12-15,17-19,22,32H,6,9-11,16,20H2,1-2H3;9-13H,3-8H2,1-2H3;7-11H,2-6H2,1H3,(H,19,20);7-10H,3-6H2,1-2H3;5-7H,2-4H2,1H3;7H,4-6H2,1-3H3;1-4H;1-3H,9H2;3,5-6H,1-2H2;1H3;3*1H;/q;;;;;;;;;;;;;+2/p-2
InChIKeyORRNYFNWTUTMCY-UHFFFAOYSA-L
MW2678.99 g/mol
LogP27.67
Rot. Bonds44

About acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride

acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride (PubChem CID 159863366) has the molecular formula C121H140BBr4Cl3FN9O24Sn and a molecular weight of 2678.99 g/mol. Its IUPAC name is acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride.

Molecular Properties

Compound Nameacetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride
PubChem CID159863366
Molecular FormulaC121H140BBr4Cl3FN9O24Sn
Molecular Weight2678.99 g/mol
Exact Mass2673.49
IUPAC Nameacetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride
SMILESCC#N.CCOC(=O)CC(C)OCC.CCOC(=O)c1cnc2cc(CCCOC)c(Br)cc2c1.CCOC(=O)c1cnc2cc(CCCOC)c(C3CC3)cc2c1.CNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2nc(CCCOC)c(C3CC3)cc2c1.COCCCc1cc([N+](=O)[O-])c(C=O)cc1Br.COCCCc1cc2ncc(C(=O)O)cc2cc1C1CC1.Cl.Cl[Sn]Cl.Nc1cc([N+](=O)[O-])c(C=O)cc1Br.O=Cc1ccc(F)c(Br)c1.OB(O)C1CC1
InChIInChI=1S/C31H32N2O2.C19H23NO3.C17H19NO3.C16H18BrNO3.C11H12BrNO4.C8H16O3.C7H4BrFO.C7H5BrN2O3.C3H7BO2.C2H3N.3ClH.Sn/c1-32-28-14-12-23(21-7-4-3-5-8-21)17-26(28)20-31(34)24-13-15-29-25(18-24)19-27(22-10-11-22)30(33-29)9-6-16-35-2;1-3-23-19(21)16-9-15-10-17(13-6-7-13)14(5-4-8-22-2)11-18(15)20-12-16;1-21-6-2-3-12-9-16-13(8-15(12)11-4-5-11)7-14(10-18-16)17(19)20;1-3-21-16(19)13-7-12-8-14(17)11(5-4-6-20-2)9-15(12)18-10-13;1-17-4-2-3-8-6-11(13(15)16)9(7-14)5-10(8)12;1-4-10-7(3)6-8(9)11-5-2;8-6-3-5(4-10)1-2-7(6)9;8-5-1-4(3-11)7(10(12)13)2-6(5)9;5-4(6)3-1-2-3;1-2-3;;;;/h3-5,7-8,12-15,17-19,22,32H,6,9-11,16,20H2,1-2H3;9-13H,3-8H2,1-2H3;7-11H,2-6H2,1H3,(H,19,20);7-10H,3-6H2,1-2H3;5-7H,2-4H2,1H3;7H,4-6H2,1-3H3;1-4H;1-3H,9H2;3,5-6H,1-2H2;1H3;3*1H;/q;;;;;;;;;;;;;+2/p-2
InChIKeyORRNYFNWTUTMCY-UHFFFAOYSA-L
XLogP27.67
TPSA480.00 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds44
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002678.99
LogP ≤ 527.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride with MolForge

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Related Compounds

2-(2-Amino-5-phenylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;5-bromo-4-fluoro-2-nitrobenzaldehyde;5-bromo-4-(2-methoxyethoxy)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(2-methoxyethoxy)quinoline-3-carboxylic acid;1-[6-cyclopropyl-7-(2-methoxyethoxy)quinolin-3-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(2-methoxyethoxy)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(2-methoxyethoxy)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride
CID 157931779
acetonitrile;2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone;3-bromo-4-fluorobenzaldehyde;5-bromo-4-fluoro-2-nitrobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;tert-butyl N-[2-[2-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride
CID 158412543
4-Bromo-2-nitrobenzaldehyde;tert-butyl 4-[8-cyclopropyl-3-[2-[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;ethyl 8-bromo-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate;ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylate
CID 159091924
acetonitrile;3-bromo-4-fluorobenzaldehyde;5-bromo-4-fluoro-2-nitrobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;tert-butyl N-[2-[2-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride
CID 161556491
acetonitrile;3-bromo-4-fluorobenzaldehyde;5-bromo-4-fluoro-2-nitrobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;tert-butyl N-[2-[2-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;methane;hydrochloride
CID 161937442

Frequently Asked Questions

What is the IUPAC name of acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride?
The IUPAC name of acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride (CID 159863366) is acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride.
What is the SMILES notation for acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride?
The canonical SMILES for acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride is CC#N.CCOC(=O)CC(C)OCC.CCOC(=O)c1cnc2cc(CCCOC)c(Br)cc2c1.CCOC(=O)c1cnc2cc(CCCOC)c(C3CC3)cc2c1.CNc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2nc(CCCOC)c(C3CC3)cc2c1.COCCCc1cc([N+](=O)[O-])c(C=O)cc1Br.COCCCc1cc2ncc(C(=O)O)cc2cc1C1CC1.Cl.Cl[Sn]Cl.Nc1cc([N+](=O)[O-])c(C=O)cc1Br.O=Cc1ccc(F)c(Br)c1.OB(O)C1CC1.
What is the InChIKey of acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride?
The InChIKey is ORRNYFNWTUTMCY-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H32N2O2.C19H23NO3.C17H19NO3.C16H18BrNO3.C11H12BrNO4.C8H16O3.C7H4BrFO.C7H5BrN2O3.C3H7BO2.C2H3N.3ClH.Sn/c1-32-28-14-12-23(21-7-4-3-5-8-21)17-26(28)20-31(34)24-13-15-29-25(18-24)19-27(22-10-11-22)30(33-29)9-6-16-35-2;1-3-23-19(21)16-9-15-10-17(13-6-7-13)14(5-4-8-22-2)11-18(15)20-12-16;1-21-6-2-3-12-9-16-13(8-15(12)11-4-5-11)7-14(10-18-16)17(19)20;1-3-21-16(19)13-7-12-8-14(17)11(5-4-6-20-2)9-15(12)18-10-13;1-17-4-2-3-8-6-11(13(15)16)9(7-14)5-10(8)12;1-4-10-7(3)6-8(9)11-5-2;8-6-3-5(4-10)1-2-7(6)9;8-5-1-4(3-11)7(10(12)13)2-6(5)9;5-4(6)3-1-2-3;1-2-3;;;;/h3-5,7-8,12-15,17-19,22,32H,6,9-11,16,20H2,1-2H3;9-13H,3-8H2,1-2H3;7-11H,2-6H2,1H3,(H,19,20);7-10H,3-6H2,1-2H3;5-7H,2-4H2,1H3;7H,4-6H2,1-3H3;1-4H;1-3H,9H2;3,5-6H,1-2H2;1H3;3*1H;/q;;;;;;;;;;;;;+2/p-2.
What are the key properties of acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride?
acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride has a molecular weight of 2678.99 g/mol, XLogP of 27.67, 44 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;4-amino-5-bromo-2-nitrobenzaldehyde;3-bromo-4-fluorobenzaldehyde;5-bromo-4-(3-methoxypropyl)-2-nitrobenzaldehyde;cyclopropylboronic acid;6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylic acid;1-[3-cyclopropyl-2-(3-methoxypropyl)quinolin-6-yl]-2-[2-(methylamino)-5-phenylphenyl]ethanone;dichlorotin;ethyl 6-bromo-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 6-cyclopropyl-7-(3-methoxypropyl)quinoline-3-carboxylate;ethyl 3-ethoxybutanoate;hydrochloride is sourced from PubChem (CID 159863366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).