1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide

C36H34Cl2N6O4 — CID 11125305

IUPAC1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCN(CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12)CCN(C)CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C36H34Cl2N6O4/c1-43(17-15-39-35(47)23-11-13-25(37)29-31(23)41-27-9-5-3-7-21(27)33(29)45)19-20-44(2)18-16-40-36(48)24-12-14-26(38)30-32(24)42-28-10-6-4-8-22(28)34(30)46/h3-14H,15-20H2,1-2H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)
InChIKeyYMHONVUMWJVIPP-UHFFFAOYSA-N
MW685.61 g/mol
LogP5.01
Rot. Bonds11

About 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide

1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide (PubChem CID 11125305) has the molecular formula C36H34Cl2N6O4 and a molecular weight of 685.61 g/mol. Its IUPAC name is 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide
PubChem CID11125305
Molecular FormulaC36H34Cl2N6O4
Molecular Weight685.61 g/mol
Exact Mass684.20
IUPAC Name1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCN(CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12)CCN(C)CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C36H34Cl2N6O4/c1-43(17-15-39-35(47)23-11-13-25(37)29-31(23)41-27-9-5-3-7-21(27)33(29)45)19-20-44(2)18-16-40-36(48)24-12-14-26(38)30-32(24)42-28-10-6-4-8-22(28)34(30)46/h3-14H,15-20H2,1-2H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)
InChIKeyYMHONVUMWJVIPP-UHFFFAOYSA-N
XLogP5.01
TPSA130.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.61
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide with MolForge

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Related Compounds

1-[2-(dimethylamino)ethylamino]-N-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl]-9-oxo-10H-acridine-4-carboxamide
CID 11814469
7-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]heptanoic acid
CID 175384877
methyl 6-[(1-chloro-5-methoxy-9-oxo-10H-acridine-4-carbonyl)amino]hexanoate
CID 175384871
1-N,2-N-bis[2-[methyl(tridecyl)amino]ethyl]benzene-1,2-dicarboxamide
CID 139953242
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892440
N-[2-(diethylamino)ethyl]-3-iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587572
N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892437
3,4-dichloro-10H-acridin-9-one
CID 138629142
N-[3-(dimethylamino)propyl]-7H-benzo[c]carbazole-5-carboxamide
CID 86566487
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701163

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide (CID 11125305) is 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide is CN(CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12)CCN(C)CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is YMHONVUMWJVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34Cl2N6O4/c1-43(17-15-39-35(47)23-11-13-25(37)29-31(23)41-27-9-5-3-7-21(27)33(29)45)19-20-44(2)18-16-40-36(48)24-12-14-26(38)30-32(24)42-28-10-6-4-8-22(28)34(30)46/h3-14H,15-20H2,1-2H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46).
What are the key properties of 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide?
1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 685.61 g/mol, XLogP of 5.01, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-[2-[2-[(1-chloro-9-oxo-10H-acridine-4-carbonyl)amino]ethyl-methylamino]ethyl-methylamino]ethyl]-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 11125305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).