N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride

C30H32ClN3O3 — CID 146051478

IUPACN-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1.Cl
InChIInChI=1S/C30H31N3O3.ClH/c1-35-22-15-11-20(12-16-22)13-18-29(34)31-21-14-17-26-24(19-21)30(23-7-3-4-8-25(23)32-26)33-27-9-5-6-10-28(27)36-2;/h5-6,9-12,14-17,19H,3-4,7-8,13,18H2,1-2H3,(H,31,34)(H,32,33);1H
InChIKeyUVFZSQMPVAUSPM-UHFFFAOYSA-N
MW518.06 g/mol
LogP6.87
Rot. Bonds8

About N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride

N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 146051478) has the molecular formula C30H32ClN3O3 and a molecular weight of 518.06 g/mol. Its IUPAC name is N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride
PubChem CID146051478
Molecular FormulaC30H32ClN3O3
Molecular Weight518.06 g/mol
Exact Mass517.21
IUPAC NameN-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1.Cl
InChIInChI=1S/C30H31N3O3.ClH/c1-35-22-15-11-20(12-16-22)13-18-29(34)31-21-14-17-26-24(19-21)30(23-7-3-4-8-25(23)32-26)33-27-9-5-6-10-28(27)36-2;/h5-6,9-12,14-17,19H,3-4,7-8,13,18H2,1-2H3,(H,31,34)(H,32,33);1H
InChIKeyUVFZSQMPVAUSPM-UHFFFAOYSA-N
XLogP6.87
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.06
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride with MolForge

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Related Compounds

(E)-3-(2,5-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
CID 146051503
5-bromo-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]furan-2-carboxamide;hydrochloride
CID 146051488
(E)-3-(2,3-dimethoxyphenyl)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide;hydrochloride
CID 146051436
(E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride
CID 146051501
4-fluoro-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-nitrobenzamide;hydrochloride
CID 146051491
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
2-chloro-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]benzamide
CID 46257075
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-2-fluorobenzamide
CID 46503428
(E)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 6056204
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 146051450
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
CID 20910572
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689

Frequently Asked Questions

What is the IUPAC name of N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride (CID 146051478) is N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1.Cl.
What is the InChIKey of N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is UVFZSQMPVAUSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3.ClH/c1-35-22-15-11-20(12-16-22)13-18-29(34)31-21-14-17-26-24(19-21)30(23-7-3-4-8-25(23)32-26)33-27-9-5-6-10-28(27)36-2;/h5-6,9-12,14-17,19H,3-4,7-8,13,18H2,1-2H3,(H,31,34)(H,32,33);1H.
What are the key properties of N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride?
N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 518.06 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 146051478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).