2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide

C16H20ClN3O — CID 8683083

IUPAC2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-18-15(21)11-20(4-2)10-13-9-12-7-5-6-8-14(12)19-16(13)17/h5-9H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyQAATURUZBGFASJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.85
Rot. Bonds6

About 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide

2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 8683083) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID8683083
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-18-15(21)11-20(4-2)10-13-9-12-7-5-6-8-14(12)19-16(13)17/h5-9H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyQAATURUZBGFASJ-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 62208289
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094
(2-chloroquinolin-3-yl)methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683082
2-[(5-chloro-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986726
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
N-ethyl-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
CID 8682599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide (CID 8683083) is 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is QAATURUZBGFASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-18-15(21)11-20(4-2)10-13-9-12-7-5-6-8-14(12)19-16(13)17/h5-9H,3-4,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 305.81 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8683083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).