2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

C35H31Cl2N5O2 — CID 10579792

IUPAC2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCN(CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12)CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12
InChIInChI=1S/C35H31Cl2N5O2/c1-42(14-6-12-38-34(43)28-20-26(36)18-24-16-22-8-2-4-10-30(22)40-32(24)28)15-7-13-39-35(44)29-21-27(37)19-25-17-23-9-3-5-11-31(23)41-33(25)29/h2-5,8-11,16-21H,6-7,12-15H2,1H3,(H,38,43)(H,39,44)
InChIKeyZGVHRUSZUUYPKK-UHFFFAOYSA-N
MW624.57 g/mol
LogP7.27
Rot. Bonds10

About 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10579792) has the molecular formula C35H31Cl2N5O2 and a molecular weight of 624.57 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
PubChem CID10579792
Molecular FormulaC35H31Cl2N5O2
Molecular Weight624.57 g/mol
Exact Mass623.19
IUPAC Name2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCN(CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12)CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12
InChIInChI=1S/C35H31Cl2N5O2/c1-42(14-6-12-38-34(43)28-20-26(36)18-24-16-22-8-2-4-10-30(22)40-32(24)28)15-7-13-39-35(44)29-21-27(37)19-25-17-23-9-3-5-11-31(23)41-33(25)29/h2-5,8-11,16-21H,6-7,12-15H2,1H3,(H,38,43)(H,39,44)
InChIKeyZGVHRUSZUUYPKK-UHFFFAOYSA-N
XLogP7.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.57
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
6-chloro-N-[2-[2-[2-[(6-chloro-9-methylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-9-methylphenazine-1-carboxamide
CID 10699482
5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 10793840
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-3-yl)quinoline-4-carboxamide
CID 17373844
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 17375211
N-[2-(dimethylamino)ethyl]-2-[2-[3-[2-[4-[2-(dimethylamino)ethylcarbamoyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridin-2-yl]ethyl-methylamino]propyl-methylamino]ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
CID 10887304
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide
CID 73345915
N-[6-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butylamino]-6-oxohexyl]-2-(2,3-dimethylanilino)benzamide
CID 73347432
N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-2-(2,3-dimethylanilino)benzamide
CID 73350528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (CID 10579792) is 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is CN(CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12)CCCNC(=O)c1cc(Cl)cc2cc3ccccc3nc12.
What is the InChIKey of 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is ZGVHRUSZUUYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31Cl2N5O2/c1-42(14-6-12-38-34(43)28-20-26(36)18-24-16-22-8-2-4-10-30(22)40-32(24)28)15-7-13-39-35(44)29-21-27(37)19-25-17-23-9-3-5-11-31(23)41-33(25)29/h2-5,8-11,16-21H,6-7,12-15H2,1H3,(H,38,43)(H,39,44).
What are the key properties of 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 624.57 g/mol, XLogP of 7.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[3-[(2-chloroacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10579792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).