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

C20H20Cl2N2O2 — CID 16622329

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H20Cl2N2O2/c1-24(12-13-6-8-16(21)17(22)10-13)19(25)9-7-15-11-14-4-2-3-5-18(14)23-20(15)26/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,23,26)
InChIKeyYUVMYYMQARQPSD-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.54
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 16622329) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID16622329
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H20Cl2N2O2/c1-24(12-13-6-8-16(21)17(22)10-13)19(25)9-7-15-11-14-4-2-3-5-18(14)23-20(15)26/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,23,26)
InChIKeyYUVMYYMQARQPSD-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 16622329) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is YUVMYYMQARQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-24(12-13-6-8-16(21)17(22)10-13)19(25)9-7-15-11-14-4-2-3-5-18(14)23-20(15)26/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,23,26).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 391.30 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 16622329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).