(2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide

C22H25Cl2N3O2 — CID 52513791

IUPAC(2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl2N3O2/c1-13(17-10-9-16(23)12-19(17)24)25-22(29)14(2)27-11-5-6-18-20(26-15(3)28)7-4-8-21(18)27/h4,7-10,12-14H,5-6,11H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+/m0/s1
InChIKeyMGDBPVLQYHRRMJ-UONOGXRCSA-N
MW434.37 g/mol
LogP4.97
Rot. Bonds5

About (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide

(2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 52513791) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID52513791
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl2N3O2/c1-13(17-10-9-16(23)12-19(17)24)25-22(29)14(2)27-11-5-6-18-20(26-15(3)28)7-4-8-21(18)27/h4,7-10,12-14H,5-6,11H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+/m0/s1
InChIKeyMGDBPVLQYHRRMJ-UONOGXRCSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 52513793
2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 119955425
(2R)-2-(2-acetamidophenoxy)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2557949
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[1-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-ylpropanamide
CID 43130681
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
2-(3-acetylphenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 55326168
1-[1-(2,4-dichlorophenyl)ethyl]-3-naphthalen-1-ylurea
CID 17181566
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2R)-N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 9249760
N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548669

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide (CID 52513791) is (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide is CC(=O)Nc1cccc2c1CCCN2[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is MGDBPVLQYHRRMJ-UONOGXRCSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-13(17-10-9-16(23)12-19(17)24)25-22(29)14(2)27-11-5-6-18-20(26-15(3)28)7-4-8-21(18)27/h4,7-10,12-14H,5-6,11H2,1-3H3,(H,25,29)(H,26,28)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
(2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 434.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 52513791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).