3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide

C22H22ClN3O2 — CID 113133211

IUPAC3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H22ClN3O2/c1-16(27)26(20-6-2-4-18-5-3-13-25-22(18)20)15-12-21(28)24-14-11-17-7-9-19(23)10-8-17/h2-10,13H,11-12,14-15H2,1H3,(H,24,28)
InChIKeyPQNXIWCBMNNRLY-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.99
Rot. Bonds7

About 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide

3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 113133211) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID113133211
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H22ClN3O2/c1-16(27)26(20-6-2-4-18-5-3-13-25-22(18)20)15-12-21(28)24-14-11-17-7-9-19(23)10-8-17/h2-10,13H,11-12,14-15H2,1H3,(H,24,28)
InChIKeyPQNXIWCBMNNRLY-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113178673
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113127554
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
N-[2-(4-chlorophenyl)ethyl]-3-(N,4-diacetylanilino)propanamide
CID 113130830
3-[acetyl(quinolin-8-yl)amino]-N-(4-cyanophenyl)propanamide
CID 113133291
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698
3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113125200

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 113133211) is 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(Cl)cc1)c1cccc2cccnc12.
What is the InChIKey of 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is PQNXIWCBMNNRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-16(27)26(20-6-2-4-18-5-3-13-25-22(18)20)15-12-21(28)24-14-11-17-7-9-19(23)10-8-17/h2-10,13H,11-12,14-15H2,1H3,(H,24,28).
What are the key properties of 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 395.89 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(quinolin-8-yl)amino]-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 113133211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).