2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide

C23H26ClN3O2 — CID 24574878

IUPAC2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(C)c1Cl
InChIInChI=1S/C23H26ClN3O2/c1-4-13-27(15-22(28)26-19-11-7-8-12-21(19)29-3)14-20-23(24)16(2)17-9-5-6-10-18(17)25-20/h5-12H,4,13-15H2,1-3H3,(H,26,28)
InChIKeyNFBHTFWFAXECDW-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.06
Rot. Bonds8

About 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide

2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 24574878) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID24574878
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(C)c1Cl
InChIInChI=1S/C23H26ClN3O2/c1-4-13-27(15-22(28)26-19-11-7-8-12-21(19)29-3)14-20-23(24)16(2)17-9-5-6-10-18(17)25-20/h5-12H,4,13-15H2,1-3H3,(H,26,28)
InChIKeyNFBHTFWFAXECDW-UHFFFAOYSA-N
XLogP5.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[(1-benzylimidazol-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 86927857
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168558
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9168578
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide (CID 24574878) is 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)Cc1nc2ccccc2c(C)c1Cl.
What is the InChIKey of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NFBHTFWFAXECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-4-13-27(15-22(28)26-19-11-7-8-12-21(19)29-3)14-20-23(24)16(2)17-9-5-6-10-18(17)25-20/h5-12H,4,13-15H2,1-3H3,(H,26,28).
What are the key properties of 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 411.93 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methylquinolin-2-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 24574878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).