2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide

C18H16ClN3O — CID 110451298

IUPAC2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESNc1cccc2ccc(CC(=O)NCc3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H16ClN3O/c19-14-7-4-12(5-8-14)11-21-17(23)10-15-9-6-13-2-1-3-16(20)18(13)22-15/h1-9H,10-11,20H2,(H,21,23)
InChIKeyVQUAQOOWFMUBNF-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.33
Rot. Bonds4

About 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide

2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 110451298) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID110451298
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESNc1cccc2ccc(CC(=O)NCc3ccc(Cl)cc3)nc12
InChIInChI=1S/C18H16ClN3O/c19-14-7-4-12(5-8-14)11-21-17(23)10-15-9-6-13-2-1-3-16(20)18(13)22-15/h1-9H,10-11,20H2,(H,21,23)
InChIKeyVQUAQOOWFMUBNF-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110451276
2-(8-aminoquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 82547391
2-(8-aminoquinolin-2-yl)-N-butylacetamide
CID 82547447
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
2-[[2-(8-aminoquinolin-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 110451199
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide
CID 110490193
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
2-(aminomethyl)quinolin-8-amine
CID 11715256
(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
CID 159537945

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide (CID 110451298) is 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide is Nc1cccc2ccc(CC(=O)NCc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is VQUAQOOWFMUBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-14-7-4-12(5-8-14)11-21-17(23)10-15-9-6-13-2-1-3-16(20)18(13)22-15/h1-9H,10-11,20H2,(H,21,23).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 325.80 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-2-yl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 110451298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).