9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C21H19ClN2O2 — CID 46503398

IUPAC9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1
InChIInChI=1S/C21H19ClN2O2/c1-26-15-6-4-5-14(12-15)23-21(25)13-9-10-17-19(11-13)24-18-8-3-2-7-16(18)20(17)22/h4-6,9-12H,2-3,7-8H2,1H3,(H,23,25)
InChIKeyKHNHFXFJMQQIBT-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.03
Rot. Bonds3

About 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 46503398) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID46503398
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1
InChIInChI=1S/C21H19ClN2O2/c1-26-15-6-4-5-14(12-15)23-21(25)13-9-10-17-19(11-13)24-18-8-3-2-7-16(18)20(17)22/h4-6,9-12H,2-3,7-8H2,1H3,(H,23,25)
InChIKeyKHNHFXFJMQQIBT-UHFFFAOYSA-N
XLogP5.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395
9-chloro-N-(3-cyanophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257992
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256249
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
N-(3-methoxyphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17496151
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 20858277
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 46503398) is 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is COc1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1.
What is the InChIKey of 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is KHNHFXFJMQQIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-26-15-6-4-5-14(12-15)23-21(25)13-9-10-17-19(11-13)24-18-8-3-2-7-16(18)20(17)22/h4-6,9-12H,2-3,7-8H2,1H3,(H,23,25).
What are the key properties of 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 46503398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).