N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C21H23ClN2O2 — CID 134053937

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C21H23ClN2O2/c1-14(15-7-5-8-18(22)13-15)24(2)20(25)11-10-17-12-16-6-3-4-9-19(16)23-21(17)26/h3-9,13-14,17H,10-12H2,1-2H3,(H,23,26)
InChIKeyWAJWWGDCGQTWHO-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.45
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 134053937) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID134053937
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C21H23ClN2O2/c1-14(15-7-5-8-18(22)13-15)24(2)20(25)11-10-17-12-16-6-3-4-9-19(16)23-21(17)26/h3-9,13-14,17H,10-12H2,1-2H3,(H,23,26)
InChIKeyWAJWWGDCGQTWHO-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 134053937) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CC(c1cccc(Cl)c1)N(C)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is WAJWWGDCGQTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14(15-7-5-8-18(22)13-15)24(2)20(25)11-10-17-12-16-6-3-4-9-19(16)23-21(17)26/h3-9,13-14,17H,10-12H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 370.88 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 134053937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).