N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide

C18H24ClN3O — CID 8794209

IUPACN-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C18H24ClN3O/c1-5-22(12-16(23)21-18(2,3)4)11-14-10-13-8-6-7-9-15(13)20-17(14)19/h6-10H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyIEQYYIHKBBTRPL-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.62
Rot. Bonds5

About N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide

N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide (PubChem CID 8794209) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
PubChem CID8794209
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C18H24ClN3O/c1-5-22(12-16(23)21-18(2,3)4)11-14-10-13-8-6-7-9-15(13)20-17(14)19/h6-10H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyIEQYYIHKBBTRPL-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.62
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-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094
[2-(tert-butylamino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
CID 8767990
2-[(2-aminoquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 62208289
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550
N-tert-butyl-2-[ethyl-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]amino]acetamide
CID 55356747
N-tert-butyl-2-[(3,5-dichloro-2-pyridinyl)methyl-ethylamino]acetamide
CID 84597413
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-naphthalen-1-ylacetamide
CID 2450964

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide (CID 8794209) is N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide?
The InChIKey is IEQYYIHKBBTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-5-22(12-16(23)21-18(2,3)4)11-14-10-13-8-6-7-9-15(13)20-17(14)19/h6-10H,5,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide?
N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide has a molecular weight of 333.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide is sourced from PubChem (CID 8794209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).