N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide

C34H35N3O5 — CID 67692141

IUPACN-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1ccc(CCNCCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c(C)c2)cc1OC
InChIInChI=1S/C34H35N3O5/c1-22-20-24(42-19-7-17-35-18-16-23-12-15-30(40-2)31(21-23)41-3)13-14-28(22)37-34(39)27-10-6-9-26-32(27)36-29-11-5-4-8-25(29)33(26)38/h4-6,8-15,20-21,35H,7,16-19H2,1-3H3,(H,36,38)(H,37,39)
InChIKeySSLVIKWIPJSZNW-UHFFFAOYSA-N
MW565.67 g/mol
LogP5.86
Rot. Bonds12

About N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide

N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide (PubChem CID 67692141) has the molecular formula C34H35N3O5 and a molecular weight of 565.67 g/mol. Its IUPAC name is N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide
PubChem CID67692141
Molecular FormulaC34H35N3O5
Molecular Weight565.67 g/mol
Exact Mass565.26
IUPAC NameN-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCOc1ccc(CCNCCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c(C)c2)cc1OC
InChIInChI=1S/C34H35N3O5/c1-22-20-24(42-19-7-17-35-18-16-23-12-15-30(40-2)31(21-23)41-3)13-14-28(22)37-34(39)27-10-6-9-26-32(27)36-29-11-5-4-8-25(29)33(26)38/h4-6,8-15,20-21,35H,7,16-19H2,1-3H3,(H,36,38)(H,37,39)
InChIKeySSLVIKWIPJSZNW-UHFFFAOYSA-N
XLogP5.86
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.67
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[4-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-enyl]phenyl]-9-oxo-10H-acridine-4-carboxamide
CID 67692252
N-[4-[3-[2-(4-methoxyphenyl)ethylamino]propyl]phenyl]-9-oxo-10H-acridine-4-carboxamide
CID 19974646
5-amino-N-[4-[4-[2-(3,4-dimethoxyphenyl)ethylamino]butyl]phenyl]-9-oxo-10H-acridine-4-carboxamide
CID 19974511
N-[4-[4-[(3,4-dimethoxyphenyl)methyl-methylamino]butyl]phenyl]-9-oxo-10H-acridine-4-carboxamide;oxalic acid
CID 162331024
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 44523246
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]-2-methoxyphenyl]-2-(5-methyl-9-oxo-10H-acridin-4-yl)acetamide
CID 139770120
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701203
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethoxy]phenyl]acetamide;hydrochloride
CID 117068489
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 10392830
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propyl]-2-methylphenyl]-2-(5-fluoro-9-oxo-10H-acridin-4-yl)acetamide
CID 139770089

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide (CID 67692141) is N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide is COc1ccc(CCNCCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c(C)c2)cc1OC.
What is the InChIKey of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is SSLVIKWIPJSZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O5/c1-22-20-24(42-19-7-17-35-18-16-23-12-15-30(40-2)31(21-23)41-3)13-14-28(22)37-34(39)27-10-6-9-26-32(27)36-29-11-5-4-8-25(29)33(26)38/h4-6,8-15,20-21,35H,7,16-19H2,1-3H3,(H,36,38)(H,37,39).
What are the key properties of N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide?
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 565.67 g/mol, XLogP of 5.86, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propoxy]-2-methylphenyl]-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 67692141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).