ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate

C23H21ClN2O3 — CID 46256250

IUPACethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C23H21ClN2O3/c1-2-29-23(28)17-8-4-6-10-19(17)26-22(27)14-11-12-16-20(13-14)25-18-9-5-3-7-15(18)21(16)24/h4,6,8,10-13H,2-3,5,7,9H2,1H3,(H,26,27)
InChIKeyQRIZGCGTVYBMHI-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.20
Rot. Bonds4

About ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate

ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate (PubChem CID 46256250) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
PubChem CID46256250
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Nameethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C23H21ClN2O3/c1-2-29-23(28)17-8-4-6-10-19(17)26-22(27)14-11-12-16-20(13-14)25-18-9-5-3-7-15(18)21(16)24/h4,6,8,10-13H,2-3,5,7,9H2,1H3,(H,26,27)
InChIKeyQRIZGCGTVYBMHI-UHFFFAOYSA-N
XLogP5.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
ethyl 2-[(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)amino]benzoate
CID 108786420
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
CID 20866032
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257991
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
9-chloro-N-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866074
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate (CID 46256250) is ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3.
What is the InChIKey of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate?
The InChIKey is QRIZGCGTVYBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-2-29-23(28)17-8-4-6-10-19(17)26-22(27)14-11-12-16-20(13-14)25-18-9-5-3-7-15(18)21(16)24/h4,6,8,10-13H,2-3,5,7,9H2,1H3,(H,26,27).
What are the key properties of ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate?
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate has a molecular weight of 408.89 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 46256250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).