(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide

C22H20ClN3O2 — CID 59981865

IUPAC(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESNc1c2c(nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc13)CCCC2O
InChIInChI=1S/C22H20ClN3O2/c23-14-7-4-13(5-8-14)6-11-20(28)25-15-9-10-17-16(12-15)22(24)21-18(26-17)2-1-3-19(21)27/h4-12,19,27H,1-3H2,(H2,24,26)(H,25,28)/b11-6+
InChIKeyXVDBUZZUOCJGQN-IZZDOVSWSA-N
MW393.87 g/mol
LogP4.49
Rot. Bonds3

About (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 59981865) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID59981865
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESNc1c2c(nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc13)CCCC2O
InChIInChI=1S/C22H20ClN3O2/c23-14-7-4-13(5-8-14)6-11-20(28)25-15-9-10-17-16(12-15)22(24)21-18(26-17)2-1-3-19(21)27/h4-12,19,27H,1-3H2,(H2,24,26)(H,25,28)/b11-6+
InChIKeyXVDBUZZUOCJGQN-IZZDOVSWSA-N
XLogP4.49
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide with MolForge

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Related Compounds

ethyl 4-amino-6-[3-(4-chlorophenyl)prop-2-enoylamino]-2-propylquinoline-3-carboxylate
CID 72613261
N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
(E)-N-(4-amino-2-hexylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 10309789
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
(E)-N-(4-amino-2-phenylquinolin-6-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 10216141
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
(E)-3-(3-chlorophenyl)-N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]prop-2-enamide
CID 6004990
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17219787
(E)-N-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 692455
(E)-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride
CID 146051501

Frequently Asked Questions

What is the IUPAC name of (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 59981865) is (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide is Nc1c2c(nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc13)CCCC2O.
What is the InChIKey of (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is XVDBUZZUOCJGQN-IZZDOVSWSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-14-7-4-13(5-8-14)6-11-20(28)25-15-9-10-17-16(12-15)22(24)21-18(26-17)2-1-3-19(21)27/h4-12,19,27H,1-3H2,(H2,24,26)(H,25,28)/b11-6+.
What are the key properties of (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 393.87 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(9-amino-8-hydroxy-5,6,7,8-tetrahydroacridin-2-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 59981865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).