2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide

C17H14ClN3O — CID 110451153

IUPAC2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide
SMILESNc1cccc2ccc(CC(=O)Nc3cccc(Cl)c3)nc12
InChIInChI=1S/C17H14ClN3O/c18-12-4-2-5-13(9-12)20-16(22)10-14-8-7-11-3-1-6-15(19)17(11)21-14/h1-9H,10,19H2,(H,20,22)
InChIKeyUNZZVYGVDMMAAF-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.65
Rot. Bonds3

About 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide

2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 110451153) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide
PubChem CID110451153
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide
SMILESNc1cccc2ccc(CC(=O)Nc3cccc(Cl)c3)nc12
InChIInChI=1S/C17H14ClN3O/c18-12-4-2-5-13(9-12)20-16(22)10-14-8-7-11-3-1-6-15(19)17(11)21-14/h1-9H,10,19H2,(H,20,22)
InChIKeyUNZZVYGVDMMAAF-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.65
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-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-(8-aminoquinolin-2-yl)-N-ethylacetamide
CID 82547485
2-(8-aminoquinolin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 110451329
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-(3-chlorophenyl)-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
CID 171348556
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-[(3-chloroanilino)methyl]quinolin-8-ol
CID 20930675
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide (CID 110451153) is 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide is Nc1cccc2ccc(CC(=O)Nc3cccc(Cl)c3)nc12.
What is the InChIKey of 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is UNZZVYGVDMMAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-4-2-5-13(9-12)20-16(22)10-14-8-7-11-3-1-6-15(19)17(11)21-14/h1-9H,10,19H2,(H,20,22).
What are the key properties of 2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide?
2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 311.77 g/mol, XLogP of 3.65, 3 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-(3-chlorophenyl)acetamide is sourced from PubChem (CID 110451153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).