4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide

C24H20Cl2N2O2 — CID 142580447

IUPAC4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
SMILESO=C(NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29)
InChIKeyXCOPXJUWALYDIJ-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.52
Rot. Bonds4

About 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide

4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide (PubChem CID 142580447) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
PubChem CID142580447
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide
SMILESO=C(NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29)
InChIKeyXCOPXJUWALYDIJ-UHFFFAOYSA-N
XLogP5.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide (CID 142580447) is 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide is O=C(NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
The InChIKey is XCOPXJUWALYDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c25-20-9-7-17(8-10-20)23(29)27-15-16-6-11-22-18(13-16)4-2-12-28(22)24(30)19-3-1-5-21(26)14-19/h1,3,5-11,13-14H,2,4,12,15H2,(H,27,29).
What are the key properties of 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide?
4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide has a molecular weight of 439.34 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]benzamide is sourced from PubChem (CID 142580447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).