4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate

C101H121Cl7N12O19 — CID 158592425

IUPAC4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate
SMILESC1CCOC1.C1CCOC1.CCN(CC)CC.CN1CCNCC1.CNC(=O)c1cc2c(Oc3ccc(CC(=O)N4CCN(C)CC4)c(Cl)c3Cl)ccnc2cc1OCCOC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Oc4ccccc4)c(Cl)c3Cl)ccnc2cc1OCCOC.CNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3Cl)ccnc2cc1OCCOC.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C28H24Cl2N2O6.C27H30Cl2N4O5.C20H19Cl2N3O4.C7H5ClO2.C6H15N.C5H12N2.2C4H8O/c1-31-28(34)20-15-19-21(16-24(20)36-13-12-35-2)32-11-10-22(19)38-23-9-8-17(26(29)27(23)30)14-25(33)37-18-6-4-3-5-7-18;1-30-27(35)19-15-18-20(16-23(19)37-13-12-36-3)31-7-6-21(18)38-22-5-4-17(25(28)26(22)29)14-24(34)33-10-8-32(2)9-11-33;1-24-20(26)12-9-11-14(10-17(12)28-8-7-27-2)25-6-5-15(11)29-16-4-3-13(23)18(21)19(16)22;8-7(9)10-6-4-2-1-3-5-6;1-4-7(5-2)6-3;1-7-4-2-6-3-5-7;2*1-2-4-5-3-1/h3-11,15-16H,12-14H2,1-2H3,(H,31,34);4-7,15-16H,8-14H2,1-3H3,(H,30,35);3-6,9-10H,7-8,23H2,1-2H3,(H,24,26);1-5H;4-6H2,1-3H3;6H,2-5H2,1H3;2*1-4H2
InChIKeyHUPKSPIONYJPGI-UHFFFAOYSA-N
MW2055.31 g/mol
LogP19.09
Rot. Bonds30

About 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate

4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate (PubChem CID 158592425) has the molecular formula C101H121Cl7N12O19 and a molecular weight of 2055.31 g/mol. Its IUPAC name is 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate.

Molecular Properties

Compound Name4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate
PubChem CID158592425
Molecular FormulaC101H121Cl7N12O19
Molecular Weight2055.31 g/mol
Exact Mass2050.67
IUPAC Name4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate
SMILESC1CCOC1.C1CCOC1.CCN(CC)CC.CN1CCNCC1.CNC(=O)c1cc2c(Oc3ccc(CC(=O)N4CCN(C)CC4)c(Cl)c3Cl)ccnc2cc1OCCOC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Oc4ccccc4)c(Cl)c3Cl)ccnc2cc1OCCOC.CNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3Cl)ccnc2cc1OCCOC.O=C(Cl)Oc1ccccc1
InChIInChI=1S/C28H24Cl2N2O6.C27H30Cl2N4O5.C20H19Cl2N3O4.C7H5ClO2.C6H15N.C5H12N2.2C4H8O/c1-31-28(34)20-15-19-21(16-24(20)36-13-12-35-2)32-11-10-22(19)38-23-9-8-17(26(29)27(23)30)14-25(33)37-18-6-4-3-5-7-18;1-30-27(35)19-15-18-20(16-23(19)37-13-12-36-3)31-7-6-21(18)38-22-5-4-17(25(28)26(22)29)14-24(34)33-10-8-32(2)9-11-33;1-24-20(26)12-9-11-14(10-17(12)28-8-7-27-2)25-6-5-15(11)29-16-4-3-13(23)18(21)19(16)22;8-7(9)10-6-4-2-1-3-5-6;1-4-7(5-2)6-3;1-7-4-2-6-3-5-7;2*1-2-4-5-3-1/h3-11,15-16H,12-14H2,1-2H3,(H,31,34);4-7,15-16H,8-14H2,1-3H3,(H,30,35);3-6,9-10H,7-8,23H2,1-2H3,(H,24,26);1-5H;4-6H2,1-3H3;6H,2-5H2,1H3;2*1-4H2
InChIKeyHUPKSPIONYJPGI-UHFFFAOYSA-N
XLogP19.09
TPSA348.18 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002055.31
LogP ≤ 519.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate with MolForge

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Related Compounds

4-[3-Chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 160999443
4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
CID 142410564
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate
CID 142410655
phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate
CID 142410699
4-[2,3-dichloro-4-[(4-methylpiperazine-1-carbonyl)amino]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
CID 146924277
4-[2,3-dichloro-4-(pyrrolidine-1-carbonylamino)phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
CID 149545297
[2,3-Dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172677
4-[2,3-dichloro-4-[(4-methylpiperidine-1-carbonyl)amino]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
CID 155196308
sodium;4-amino-3-chlorophenol;4-(4-amino-3-chlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;5-tert-butyl-2H-pyrrol-3-amine;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-chloro-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;methyl 4-chloro-7-(2-methoxyethoxy)quinoline-6-carboxylate;oxolane;phenyl carbonochloridate;phenyl 2-[2-chloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate;hydroxide;hydrochloride
CID 157629614
sodium;4-amino-2,3-dichlorophenol;4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dichlorophenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-chloro-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;oxolane;phenyl 2-(3-tert-butyl-1-methylpyrazol-5-yl)acetate;hydroxide
CID 157866569
4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
CID 157896090
Methyl 4-(4-amino-3-chlorophenoxy)-7-(2-methoxyethoxy)quinoline-6-carboxylate;methyl 4-[3-chloro-4-(phenoxycarbonylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylate
CID 158518186

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate?
The IUPAC name of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate (CID 158592425) is 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate.
What is the SMILES notation for 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate?
The canonical SMILES for 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate is C1CCOC1.C1CCOC1.CCN(CC)CC.CN1CCNCC1.CNC(=O)c1cc2c(Oc3ccc(CC(=O)N4CCN(C)CC4)c(Cl)c3Cl)ccnc2cc1OCCOC.CNC(=O)c1cc2c(Oc3ccc(CC(=O)Oc4ccccc4)c(Cl)c3Cl)ccnc2cc1OCCOC.CNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3Cl)ccnc2cc1OCCOC.O=C(Cl)Oc1ccccc1.
What is the InChIKey of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate?
The InChIKey is HUPKSPIONYJPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O6.C27H30Cl2N4O5.C20H19Cl2N3O4.C7H5ClO2.C6H15N.C5H12N2.2C4H8O/c1-31-28(34)20-15-19-21(16-24(20)36-13-12-35-2)32-11-10-22(19)38-23-9-8-17(26(29)27(23)30)14-25(33)37-18-6-4-3-5-7-18;1-30-27(35)19-15-18-20(16-23(19)37-13-12-36-3)31-7-6-21(18)38-22-5-4-17(25(28)26(22)29)14-24(34)33-10-8-32(2)9-11-33;1-24-20(26)12-9-11-14(10-17(12)28-8-7-27-2)25-6-5-15(11)29-16-4-3-13(23)18(21)19(16)22;8-7(9)10-6-4-2-1-3-5-6;1-4-7(5-2)6-3;1-7-4-2-6-3-5-7;2*1-2-4-5-3-1/h3-11,15-16H,12-14H2,1-2H3,(H,31,34);4-7,15-16H,8-14H2,1-3H3,(H,30,35);3-6,9-10H,7-8,23H2,1-2H3,(H,24,26);1-5H;4-6H2,1-3H3;6H,2-5H2,1H3;2*1-4H2.
What are the key properties of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate?
4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate has a molecular weight of 2055.31 g/mol, XLogP of 19.09, 30 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;4-[2,3-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenoxy]-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide;N,N-diethylethanamine;1-methylpiperazine;oxolane;phenyl carbonochloridate;phenyl 2-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]acetate is sourced from PubChem (CID 158592425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).