1-(2-aminoquinolin-8-yl)-2-chloroethanone

C11H9ClN2O — CID 134822111

IUPAC1-(2-aminoquinolin-8-yl)-2-chloroethanone
SMILESNc1ccc2cccc(C(=O)CCl)c2n1
InChIInChI=1S/C11H9ClN2O/c12-6-9(15)8-3-1-2-7-4-5-10(13)14-11(7)8/h1-5H,6H2,(H2,13,14)
InChIKeyJCRFIMFHWUDIFY-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.24
Rot. Bonds2

About 1-(2-aminoquinolin-8-yl)-2-chloroethanone

1-(2-aminoquinolin-8-yl)-2-chloroethanone (PubChem CID 134822111) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 1-(2-aminoquinolin-8-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-aminoquinolin-8-yl)-2-chloroethanone
PubChem CID134822111
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name1-(2-aminoquinolin-8-yl)-2-chloroethanone
SMILESNc1ccc2cccc(C(=O)CCl)c2n1
InChIInChI=1S/C11H9ClN2O/c12-6-9(15)8-3-1-2-7-4-5-10(13)14-11(7)8/h1-5H,6H2,(H2,13,14)
InChIKeyJCRFIMFHWUDIFY-UHFFFAOYSA-N
XLogP2.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloroquinoline-8-carboxamide
CID 118665273
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412
1-(2-bromo-1,3-benzoxazol-4-yl)-2-chloroethanone
CID 131166982
1-(2-amino-3-pyridinyl)-2-chloroethanone
CID 88729887
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738
4-(2-chloroacetyl)-1,3-benzoxazole-2-carbonitrile
CID 131374256
hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
CID 139156737
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428
quinoline-2,8-dicarboxylic acid
CID 19033995
4-[3-[2-(2-aminoquinolin-8-yl)oxyethoxy]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 22036502
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoquinolin-8-yl)-2-chloroethanone?
The IUPAC name of 1-(2-aminoquinolin-8-yl)-2-chloroethanone (CID 134822111) is 1-(2-aminoquinolin-8-yl)-2-chloroethanone.
What is the SMILES notation for 1-(2-aminoquinolin-8-yl)-2-chloroethanone?
The canonical SMILES for 1-(2-aminoquinolin-8-yl)-2-chloroethanone is Nc1ccc2cccc(C(=O)CCl)c2n1.
What is the InChIKey of 1-(2-aminoquinolin-8-yl)-2-chloroethanone?
The InChIKey is JCRFIMFHWUDIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-6-9(15)8-3-1-2-7-4-5-10(13)14-11(7)8/h1-5H,6H2,(H2,13,14).
What are the key properties of 1-(2-aminoquinolin-8-yl)-2-chloroethanone?
1-(2-aminoquinolin-8-yl)-2-chloroethanone has a molecular weight of 220.66 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoquinolin-8-yl)-2-chloroethanone is sourced from PubChem (CID 134822111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).