6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile

C181H148Cl6N30O15 — CID 161258265

IUPAC6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N(Cc1ccccc1)Cc1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)c1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)c1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NCc1ccccc1
InChIInChI=1S/C38H32ClN5O2.2C31H24ClN5O3.C31H26ClN5O2.C26H22ClN5O3.C24H20ClN5O2/c1-2-45-37-21-34-32(20-35(37)44(24-27-11-5-3-6-12-27)25-28-13-7-4-8-14-28)38(29(22-40)23-42-34)43-30-16-17-36(33(39)19-30)46-26-31-15-9-10-18-41-31;2*1-2-39-29-16-26-24(15-27(29)37-31(38)20-8-4-3-5-9-20)30(21(17-33)18-35-26)36-22-11-12-28(25(32)14-22)40-19-23-10-6-7-13-34-23;1-2-38-30-16-27-25(15-28(30)35-18-21-8-4-3-5-9-21)31(22(17-33)19-36-27)37-23-11-12-29(26(32)14-23)39-20-24-10-6-7-13-34-24;1-3-34-25-12-22-20(11-23(25)31-16(2)33)26(17(13-28)14-30-22)32-18-7-8-24(21(27)10-18)35-15-19-6-4-5-9-29-19;1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-21,23H,2,24-26H2,1H3,(H,42,43);2*3-16,18H,2,19H2,1H3,(H,35,36)(H,37,38);3-16,19,35H,2,18,20H2,1H3,(H,36,37);4-12,14H,3,15H2,1-2H3,(H,30,32)(H,31,33);3-11,13H,2,14,27H2,1H3,(H,29,30)
InChIKeyVCFILXGTTWNWQD-UHFFFAOYSA-N
MW3196.09 g/mol
LogP42.12
Rot. Bonds55

About 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile

6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile (PubChem CID 161258265) has the molecular formula C181H148Cl6N30O15 and a molecular weight of 3196.09 g/mol. Its IUPAC name is 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile
PubChem CID161258265
Molecular FormulaC181H148Cl6N30O15
Molecular Weight3196.09 g/mol
Exact Mass3190.99
IUPAC Name6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N(Cc1ccccc1)Cc1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)c1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)c1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NCc1ccccc1
InChIInChI=1S/C38H32ClN5O2.2C31H24ClN5O3.C31H26ClN5O2.C26H22ClN5O3.C24H20ClN5O2/c1-2-45-37-21-34-32(20-35(37)44(24-27-11-5-3-6-12-27)25-28-13-7-4-8-14-28)38(29(22-40)23-42-34)43-30-16-17-36(33(39)19-30)46-26-31-15-9-10-18-41-31;2*1-2-39-29-16-26-24(15-27(29)37-31(38)20-8-4-3-5-9-20)30(21(17-33)18-35-26)36-22-11-12-28(25(32)14-22)40-19-23-10-6-7-13-34-23;1-2-38-30-16-27-25(15-28(30)35-18-21-8-4-3-5-9-21)31(22(17-33)19-36-27)37-23-11-12-29(26(32)14-23)39-20-24-10-6-7-13-34-24;1-3-34-25-12-22-20(11-23(25)31-16(2)33)26(17(13-28)14-30-22)32-18-7-8-24(21(27)10-18)35-15-19-6-4-5-9-29-19;1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-21,23H,2,24-26H2,1H3,(H,42,43);2*3-16,18H,2,19H2,1H3,(H,35,36)(H,37,38);3-16,19,35H,2,18,20H2,1H3,(H,36,37);4-12,14H,3,15H2,1-2H3,(H,30,32)(H,31,33);3-11,13H,2,14,27H2,1H3,(H,29,30)
InChIKeyVCFILXGTTWNWQD-UHFFFAOYSA-N
XLogP42.12
TPSA608.95 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds55
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003196.09
LogP ≤ 542.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]buta-2,3-dienamide
CID 134556449
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]pent-2-enamide
CID 118927925
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-methylquinolin-6-yl]benzamide
CID 158838037
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-methoxybutanamide
CID 145220736
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;ethane
CID 143981785
but-2-enedioic acid;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 67307521
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-fluoroprop-2-enamide
CID 85471289
(E)-4-bromo-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide
CID 141236732
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-methylsulfonylbut-2-enamide
CID 175393060
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide;sulfuric acid
CID 155100609
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[(E)-4-(dimethylamino)-2-oxobut-3-enyl]-7-ethoxyquinoline-3-carbonitrile
CID 161335811
tert-butyl 2-[[(E)-4-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]amino]-4-oxobut-2-enyl]-methylamino]acetate
CID 143337942

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile?
The IUPAC name of 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile (CID 161258265) is 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile?
The canonical SMILES for 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile is CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N(Cc1ccccc1)Cc1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)c1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)c1ccccc1.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NCc1ccccc1.
What is the InChIKey of 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile?
The InChIKey is VCFILXGTTWNWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32ClN5O2.2C31H24ClN5O3.C31H26ClN5O2.C26H22ClN5O3.C24H20ClN5O2/c1-2-45-37-21-34-32(20-35(37)44(24-27-11-5-3-6-12-27)25-28-13-7-4-8-14-28)38(29(22-40)23-42-34)43-30-16-17-36(33(39)19-30)46-26-31-15-9-10-18-41-31;2*1-2-39-29-16-26-24(15-27(29)37-31(38)20-8-4-3-5-9-20)30(21(17-33)18-35-26)36-22-11-12-28(25(32)14-22)40-19-23-10-6-7-13-34-23;1-2-38-30-16-27-25(15-28(30)35-18-21-8-4-3-5-9-21)31(22(17-33)19-36-27)37-23-11-12-29(26(32)14-23)39-20-24-10-6-7-13-34-24;1-3-34-25-12-22-20(11-23(25)31-16(2)33)26(17(13-28)14-30-22)32-18-7-8-24(21(27)10-18)35-15-19-6-4-5-9-29-19;1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-21,23H,2,24-26H2,1H3,(H,42,43);2*3-16,18H,2,19H2,1H3,(H,35,36)(H,37,38);3-16,19,35H,2,18,20H2,1H3,(H,36,37);4-12,14H,3,15H2,1-2H3,(H,30,32)(H,31,33);3-11,13H,2,14,27H2,1H3,(H,29,30).
What are the key properties of 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile?
6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile has a molecular weight of 3196.09 g/mol, XLogP of 42.12, 55 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;6-(benzylamino)-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile;N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]acetamide;bis(N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]benzamide);4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-6-(dibenzylamino)-7-ethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 161258265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).