2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide

C21H21ClN4O2 — CID 42890733

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ncccc12)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN4O2/c1-14(26(2)13-20(27)24-19-9-4-3-8-16(19)22)21(28)25-18-11-5-10-17-15(18)7-6-12-23-17/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOKBOBDVZFUDZLH-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.79
Rot. Bonds6

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide (PubChem CID 42890733) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
PubChem CID42890733
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ncccc12)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H21ClN4O2/c1-14(26(2)13-20(27)24-19-9-4-3-8-16(19)22)21(28)25-18-11-5-10-17-15(18)7-6-12-23-17/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOKBOBDVZFUDZLH-UHFFFAOYSA-N
XLogP3.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-(2,5-dichlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911629
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-phenylmethoxyphenyl)propanamide
CID 46561691
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2-chloro-N-[1-oxo-3-phenyl-1-(quinolin-5-ylamino)propan-2-yl]benzamide
CID 118296422

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide (CID 42890733) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide is CC(C(=O)Nc1cccc2ncccc12)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide?
The InChIKey is OKBOBDVZFUDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14(26(2)13-20(27)24-19-9-4-3-8-16(19)22)21(28)25-18-11-5-10-17-15(18)7-6-12-23-17/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide has a molecular weight of 396.88 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 42890733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).