9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine

C175H200Cl12N26O7 — CID 158860940

IUPAC9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine
SMILESCc1cccc2c(Nc3ccc(OCCCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3cccc(CN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3cccc(OCCCCN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12.ClCCN(CCCl)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.ClCCN(CCCl)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/2C33H41Cl2N5O2.C31H37Cl2N5O2.C30H35Cl2N5O.2C24H23Cl2N3/c1-24-9-6-12-27-30(24)38-32-28(13-8-14-29(32)33(41)36-17-21-39(2)3)31(27)37-25-10-7-11-26(23-25)42-22-5-4-18-40(19-15-34)20-16-35;1-24-8-6-9-27-30(24)38-32-28(10-7-11-29(32)33(41)36-18-22-39(2)3)31(27)37-25-12-14-26(15-13-25)42-23-5-4-19-40(20-16-34)21-17-35;1-22-6-4-7-25-28(22)36-30-26(8-5-9-27(30)31(39)34-16-19-37(2)3)29(25)35-23-10-12-24(13-11-23)40-21-20-38(17-14-32)18-15-33;1-21-7-4-10-24-27(21)35-29-25(11-6-12-26(29)30(38)33-15-18-36(2)3)28(24)34-23-9-5-8-22(19-23)20-37(16-13-31)17-14-32;25-12-14-29(15-13-26)17-18-6-5-7-19(16-18)27-24-20-8-1-3-10-22(20)28-23-11-4-2-9-21(23)24;25-13-15-29(16-14-26)17-18-9-11-19(12-10-18)27-24-20-5-1-3-7-22(20)28-23-8-4-2-6-21(23)24/h6-14,23H,4-5,15-22H2,1-3H3,(H,36,41)(H,37,38);6-15H,4-5,16-23H2,1-3H3,(H,36,41)(H,37,38);4-13H,14-21H2,1-3H3,(H,34,39)(H,35,36);4-12,19H,13-18,20H2,1-3H3,(H,33,38)(H,34,35);1-11,16H,12-15,17H2,(H,27,28);1-12H,13-17H2,(H,27,28)
InChIKeyJAQJKKDRYAHYGT-UHFFFAOYSA-N
MW3205.14 g/mol
LogP38.06
Rot. Bonds74

About 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine

9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine (PubChem CID 158860940) has the molecular formula C175H200Cl12N26O7 and a molecular weight of 3205.14 g/mol. Its IUPAC name is 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine.

Molecular Properties

Compound Name9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine
PubChem CID158860940
Molecular FormulaC175H200Cl12N26O7
Molecular Weight3205.14 g/mol
Exact Mass3197.24
IUPAC Name9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine
SMILESCc1cccc2c(Nc3ccc(OCCCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3cccc(CN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3cccc(OCCCCN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12.ClCCN(CCCl)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.ClCCN(CCCl)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/2C33H41Cl2N5O2.C31H37Cl2N5O2.C30H35Cl2N5O.2C24H23Cl2N3/c1-24-9-6-12-27-30(24)38-32-28(13-8-14-29(32)33(41)36-17-21-39(2)3)31(27)37-25-10-7-11-26(23-25)42-22-5-4-18-40(19-15-34)20-16-35;1-24-8-6-9-27-30(24)38-32-28(10-7-11-29(32)33(41)36-18-22-39(2)3)31(27)37-25-12-14-26(15-13-25)42-23-5-4-19-40(20-16-34)21-17-35;1-22-6-4-7-25-28(22)36-30-26(8-5-9-27(30)31(39)34-16-19-37(2)3)29(25)35-23-10-12-24(13-11-23)40-21-20-38(17-14-32)18-15-33;1-21-7-4-10-24-27(21)35-29-25(11-6-12-26(29)30(38)33-15-18-36(2)3)28(24)34-23-9-5-8-22(19-23)20-37(16-13-31)17-14-32;25-12-14-29(15-13-26)17-18-6-5-7-19(16-18)27-24-20-8-1-3-10-22(20)28-23-11-4-2-9-21(23)24;25-13-15-29(16-14-26)17-18-9-11-19(12-10-18)27-24-20-5-1-3-7-22(20)28-23-8-4-2-6-21(23)24/h6-14,23H,4-5,15-22H2,1-3H3,(H,36,41)(H,37,38);6-15H,4-5,16-23H2,1-3H3,(H,36,41)(H,37,38);4-13H,14-21H2,1-3H3,(H,34,39)(H,35,36);4-12,19H,13-18,20H2,1-3H3,(H,33,38)(H,34,35);1-11,16H,12-15,17H2,(H,27,28);1-12H,13-17H2,(H,27,28)
InChIKeyJAQJKKDRYAHYGT-UHFFFAOYSA-N
XLogP38.06
TPSA326.01 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds74
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003205.14
LogP ≤ 538.06
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine?
The IUPAC name of 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine (CID 158860940) is 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine.
What is the SMILES notation for 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine?
The canonical SMILES for 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine is Cc1cccc2c(Nc3ccc(OCCCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3cccc(CN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12.Cc1cccc2c(Nc3cccc(OCCCCN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12.ClCCN(CCCl)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1.ClCCN(CCCl)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine?
The InChIKey is JAQJKKDRYAHYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H41Cl2N5O2.C31H37Cl2N5O2.C30H35Cl2N5O.2C24H23Cl2N3/c1-24-9-6-12-27-30(24)38-32-28(13-8-14-29(32)33(41)36-17-21-39(2)3)31(27)37-25-10-7-11-26(23-25)42-22-5-4-18-40(19-15-34)20-16-35;1-24-8-6-9-27-30(24)38-32-28(10-7-11-29(32)33(41)36-18-22-39(2)3)31(27)37-25-12-14-26(15-13-25)42-23-5-4-19-40(20-16-34)21-17-35;1-22-6-4-7-25-28(22)36-30-26(8-5-9-27(30)31(39)34-16-19-37(2)3)29(25)35-23-10-12-24(13-11-23)40-21-20-38(17-14-32)18-15-33;1-21-7-4-10-24-27(21)35-29-25(11-6-12-26(29)30(38)33-15-18-36(2)3)28(24)34-23-9-5-8-22(19-23)20-37(16-13-31)17-14-32;25-12-14-29(15-13-26)17-18-6-5-7-19(16-18)27-24-20-8-1-3-10-22(20)28-23-11-4-2-9-21(23)24;25-13-15-29(16-14-26)17-18-9-11-19(12-10-18)27-24-20-5-1-3-7-22(20)28-23-8-4-2-6-21(23)24/h6-14,23H,4-5,15-22H2,1-3H3,(H,36,41)(H,37,38);6-15H,4-5,16-23H2,1-3H3,(H,36,41)(H,37,38);4-13H,14-21H2,1-3H3,(H,34,39)(H,35,36);4-12,19H,13-18,20H2,1-3H3,(H,33,38)(H,34,35);1-11,16H,12-15,17H2,(H,27,28);1-12H,13-17H2,(H,27,28).
What are the key properties of 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine?
9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine has a molecular weight of 3205.14 g/mol, XLogP of 38.06, 74 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[4-[bis(2-chloroethyl)amino]butoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[4-[2-[bis(2-chloroethyl)amino]ethoxy]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;9-[3-[bis(2-chloroethyl)aminomethyl]anilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide;N-[3-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine;N-[4-[bis(2-chloroethyl)aminomethyl]phenyl]acridin-9-amine is sourced from PubChem (CID 158860940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).