2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide

C14H16ClN3O2 — CID 115959599

IUPAC2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNC(C(N)=O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H16ClN3O2/c1-20-8-7-18-13(14(16)19)10-4-5-11(15)9-3-2-6-17-12(9)10/h2-6,13,18H,7-8H2,1H3,(H2,16,19)
InChIKeyPBPGZLHGUAGCBZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.65
Rot. Bonds6

About 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide

2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide (PubChem CID 115959599) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
PubChem CID115959599
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNC(C(N)=O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H16ClN3O2/c1-20-8-7-18-13(14(16)19)10-4-5-11(15)9-3-2-6-17-12(9)10/h2-6,13,18H,7-8H2,1H3,(H2,16,19)
InChIKeyPBPGZLHGUAGCBZ-UHFFFAOYSA-N
XLogP1.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 112617875
methyl 2-(5-chloroquinolin-8-yl)-2-(prop-2-enylamino)acetate
CID 115959645
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570
1-(5-chloroquinolin-8-yl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 115959538
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 112618766
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide (CID 115959599) is 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide is COCCNC(C(N)=O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is PBPGZLHGUAGCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-20-8-7-18-13(14(16)19)10-4-5-11(15)9-3-2-6-17-12(9)10/h2-6,13,18H,7-8H2,1H3,(H2,16,19).
What are the key properties of 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide?
2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 293.75 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 115959599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).