1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine

C178H206N29O3+7 — CID 172986088

IUPAC1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
SMILESC/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1cc2c3c(c1)CCCN3CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1ccc(N2CCCC2)c2ccccc12)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1ccc2ccccc2[n+]1C.CCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C)c3ccc4ccccc4[n+]3C)cc2)cc1.COc1c(N(C)/N=C(\C)c2ccc3ccccc3[n+]2C)cc2c3c1CCCN3CCC2
InChIInChI=1S/C29H34N5.C27H29N4.C26H31N4O.C25H28N4O.C25H29N4.C23H26N4O.C23H27N4/c1-6-34(7-2)27-19-15-25(16-20-27)30-24-13-17-26(18-14-24)33(5)31-22(3)28-21-12-23-10-8-9-11-29(23)32(28)4;1-20(24-15-14-21-10-4-7-13-25(21)29(24)2)28-30(3)26-16-17-27(31-18-8-9-19-31)23-12-6-5-11-22(23)26;1-18(22-14-13-19-9-5-6-12-23(19)28(22)2)27-29(3)24-17-20-10-7-15-30-16-8-11-21(25(20)30)26(24)31-4;1-17(21-13-12-18-8-4-5-11-22(18)27(21)2)26-28(3)23-16-19-9-6-14-29-15-7-10-20(24(19)29)25(23)30;1-18(23-13-12-19-8-4-5-11-24(19)27(23)2)26-28(3)22-16-20-9-6-14-29-15-7-10-21(17-22)25(20)29;1-16(19-12-11-17-8-5-6-10-20(17)26(19)3)24-27(4)22-14-18-9-7-13-25(2)21(18)15-23(22)28;1-17(21-13-11-18-8-5-6-10-23(18)26(21)3)24-27(4)20-12-14-22-19(16-20)9-7-15-25(22)2/h8-21,30H,6-7H2,1-5H3;4-7,10-17H,8-9,18-19H2,1-3H3;5-6,9,12-14,17H,7-8,10-11,15-16H2,1-4H3;4-5,8,11-13,16H,6-7,9-10,14-15H2,1-3H3;4-5,8,11-13,16-17H,6-7,9-10,14-15H2,1-3H3;5-6,8,10-12,14-15H,7,9,13H2,1-4H3;5-6,8,10-14,16H,7,9,15H2,1-4H3/q3*+1;;+1;;+1/p+2
InChIKeyOGWUJLKCEYJEGD-UHFFFAOYSA-P
MW2799.81 g/mol
LogP31.30
Rot. Bonds28

About 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine

1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine (PubChem CID 172986088) has the molecular formula C178H206N29O3+7 and a molecular weight of 2799.81 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine.

Molecular Properties

Compound Name1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
PubChem CID172986088
Molecular FormulaC178H206N29O3+7
Molecular Weight2799.81 g/mol
Exact Mass2797.68
IUPAC Name1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
SMILESC/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1cc2c3c(c1)CCCN3CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1ccc(N2CCCC2)c2ccccc12)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1ccc2ccccc2[n+]1C.CCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C)c3ccc4ccccc4[n+]3C)cc2)cc1.COc1c(N(C)/N=C(\C)c2ccc3ccccc3[n+]2C)cc2c3c1CCCN3CCC2
InChIInChI=1S/C29H34N5.C27H29N4.C26H31N4O.C25H28N4O.C25H29N4.C23H26N4O.C23H27N4/c1-6-34(7-2)27-19-15-25(16-20-27)30-24-13-17-26(18-14-24)33(5)31-22(3)28-21-12-23-10-8-9-11-29(23)32(28)4;1-20(24-15-14-21-10-4-7-13-25(21)29(24)2)28-30(3)26-16-17-27(31-18-8-9-19-31)23-12-6-5-11-22(23)26;1-18(22-14-13-19-9-5-6-12-23(19)28(22)2)27-29(3)24-17-20-10-7-15-30-16-8-11-21(25(20)30)26(24)31-4;1-17(21-13-12-18-8-4-5-11-22(18)27(21)2)26-28(3)23-16-19-9-6-14-29-15-7-10-20(24(19)29)25(23)30;1-18(23-13-12-19-8-4-5-11-24(19)27(23)2)26-28(3)22-16-20-9-6-14-29-15-7-10-21(17-22)25(20)29;1-16(19-12-11-17-8-5-6-10-20(17)26(19)3)24-27(4)22-14-18-9-7-13-25(2)21(18)15-23(22)28;1-17(21-13-11-18-8-5-6-10-23(18)26(21)3)24-27(4)20-12-14-22-19(16-20)9-7-15-25(22)2/h8-21,30H,6-7H2,1-5H3;4-7,10-17H,8-9,18-19H2,1-3H3;5-6,9,12-14,17H,7-8,10-11,15-16H2,1-4H3;4-5,8,11-13,16H,6-7,9-10,14-15H2,1-3H3;4-5,8,11-13,16-17H,6-7,9-10,14-15H2,1-3H3;5-6,8,10-12,14-15H,7,9,13H2,1-4H3;5-6,8,10-14,16H,7,9,15H2,1-4H3/q3*+1;;+1;;+1/p+2
InChIKeyOGWUJLKCEYJEGD-UHFFFAOYSA-P
XLogP31.30
TPSA220.76 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002799.81
LogP ≤ 531.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
The IUPAC name of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine (CID 172986088) is 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine.
What is the SMILES notation for 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
The canonical SMILES for 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine is C/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1cc2c3c(c1)CCCN3CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1ccc(N2CCCC2)c2ccccc12)c1ccc2ccccc2[n+]1C.C/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1ccc2ccccc2[n+]1C.CCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C)c3ccc4ccccc4[n+]3C)cc2)cc1.COc1c(N(C)/N=C(\C)c2ccc3ccccc3[n+]2C)cc2c3c1CCCN3CCC2.
What is the InChIKey of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
The InChIKey is OGWUJLKCEYJEGD-UHFFFAOYSA-P. The full InChI is InChI=1S/C29H34N5.C27H29N4.C26H31N4O.C25H28N4O.C25H29N4.C23H26N4O.C23H27N4/c1-6-34(7-2)27-19-15-25(16-20-27)30-24-13-17-26(18-14-24)33(5)31-22(3)28-21-12-23-10-8-9-11-29(23)32(28)4;1-20(24-15-14-21-10-4-7-13-25(21)29(24)2)28-30(3)26-16-17-27(31-18-8-9-19-31)23-12-6-5-11-22(23)26;1-18(22-14-13-19-9-5-6-12-23(19)28(22)2)27-29(3)24-17-20-10-7-15-30-16-8-11-21(25(20)30)26(24)31-4;1-17(21-13-12-18-8-4-5-11-22(18)27(21)2)26-28(3)23-16-19-9-6-14-29-15-7-10-20(24(19)29)25(23)30;1-18(23-13-12-19-8-4-5-11-24(19)27(23)2)26-28(3)22-16-20-9-6-14-29-15-7-10-21(17-22)25(20)29;1-16(19-12-11-17-8-5-6-10-20(17)26(19)3)24-27(4)22-14-18-9-7-13-25(2)21(18)15-23(22)28;1-17(21-13-11-18-8-5-6-10-23(18)26(21)3)24-27(4)20-12-14-22-19(16-20)9-7-15-25(22)2/h8-21,30H,6-7H2,1-5H3;4-7,10-17H,8-9,18-19H2,1-3H3;5-6,9,12-14,17H,7-8,10-11,15-16H2,1-4H3;4-5,8,11-13,16H,6-7,9-10,14-15H2,1-3H3;4-5,8,11-13,16-17H,6-7,9-10,14-15H2,1-3H3;5-6,8,10-12,14-15H,7,9,13H2,1-4H3;5-6,8,10-14,16H,7,9,15H2,1-4H3/q3*+1;;+1;;+1/p+2.
What are the key properties of 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine?
1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine has a molecular weight of 2799.81 g/mol, XLogP of 31.30, 28 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine is sourced from PubChem (CID 172986088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).