5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

C20H18BrClN2O2 — CID 16808959

IUPAC5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H18BrClN2O2/c21-14-5-7-17(22)16(11-14)19(25)23-15-6-8-18-13(10-15)2-1-9-24(18)20(26)12-3-4-12/h5-8,10-12H,1-4,9H2,(H,23,25)
InChIKeyXGNJCUCFZUOCCS-UHFFFAOYSA-N
MW433.73 g/mol
LogP5.04
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 16808959) has the molecular formula C20H18BrClN2O2 and a molecular weight of 433.73 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID16808959
Molecular FormulaC20H18BrClN2O2
Molecular Weight433.73 g/mol
Exact Mass432.02
IUPAC Name5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H18BrClN2O2/c21-14-5-7-17(22)16(11-14)19(25)23-15-6-8-18-13(10-15)2-1-9-24(18)20(26)12-3-4-12/h5-8,10-12H,1-4,9H2,(H,23,25)
InChIKeyXGNJCUCFZUOCCS-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-bromo-2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
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2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 16808959) is 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is XGNJCUCFZUOCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2/c21-14-5-7-17(22)16(11-14)19(25)23-15-6-8-18-13(10-15)2-1-9-24(18)20(26)12-3-4-12/h5-8,10-12H,1-4,9H2,(H,23,25).
What are the key properties of 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 433.73 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 16808959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).