2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide

C22H24ClN3O — CID 8810094

IUPAC2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C22H24ClN3O/c1-3-12-26(15-21(27)24-19-10-6-4-8-16(19)2)14-18-13-17-9-5-7-11-20(17)25-22(18)23/h4-11,13H,3,12,14-15H2,1-2H3,(H,24,27)
InChIKeyJPFNNIHEZDNFCT-UHFFFAOYSA-N
MW381.91 g/mol
LogP5.05
Rot. Bonds7

About 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide

2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide (PubChem CID 8810094) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
PubChem CID8810094
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C22H24ClN3O/c1-3-12-26(15-21(27)24-19-10-6-4-8-16(19)2)14-18-13-17-9-5-7-11-20(17)25-22(18)23/h4-11,13H,3,12,14-15H2,1-2H3,(H,24,27)
InChIKeyJPFNNIHEZDNFCT-UHFFFAOYSA-N
XLogP5.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.05
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

N-tert-butyl-2-[(2-chloroquinolin-3-yl)methyl-ethylamino]acetamide
CID 8794209
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810048
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2-[butyl(naphthalen-2-ylmethyl)amino]-N-(2-methylphenyl)acetamide
CID 156786205
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78821432

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide (CID 8810094) is 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is JPFNNIHEZDNFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-3-12-26(15-21(27)24-19-10-6-4-8-16(19)2)14-18-13-17-9-5-7-11-20(17)25-22(18)23/h4-11,13H,3,12,14-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide?
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 381.91 g/mol, XLogP of 5.05, 7 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-propylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8810094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).