N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide

C24H20Cl2N2O2 — CID 67672709

IUPACN-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2C1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H20Cl2N2O2/c1-15-14-28(24(30)16-7-3-2-4-8-16)21-10-6-5-9-20(21)22(15)27-23(29)17-11-18(25)13-19(26)12-17/h2-13,15,22H,14H2,1H3,(H,27,29)
InChIKeyDIWWEZLHNSJXCT-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.76
Rot. Bonds3

About N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide

N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide (PubChem CID 67672709) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide
PubChem CID67672709
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC NameN-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide
SMILESCC1CN(C(=O)c2ccccc2)c2ccccc2C1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C24H20Cl2N2O2/c1-15-14-28(24(30)16-7-3-2-4-8-16)21-10-6-5-9-20(21)22(15)27-23(29)17-11-18(25)13-19(26)12-17/h2-13,15,22H,14H2,1H3,(H,27,29)
InChIKeyDIWWEZLHNSJXCT-UHFFFAOYSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide (CID 67672709) is N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide is CC1CN(C(=O)c2ccccc2)c2ccccc2C1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide?
The InChIKey is DIWWEZLHNSJXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-15-14-28(24(30)16-7-3-2-4-8-16)21-10-6-5-9-20(21)22(15)27-23(29)17-11-18(25)13-19(26)12-17/h2-13,15,22H,14H2,1H3,(H,27,29).
What are the key properties of N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide?
N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide has a molecular weight of 439.34 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 67672709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).