4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide

C20H19BrN2O — CID 86699768

IUPAC4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide
SMILESCCc1cc(Br)cc(CC)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H19BrN2O/c1-3-13-11-16(21)12-14(4-2)18(13)20(24)23-17-9-5-7-15-8-6-10-22-19(15)17/h5-12H,3-4H2,1-2H3,(H,23,24)
InChIKeyWTPDSNQSKMPMSR-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.37
Rot. Bonds4

About 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide

4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide (PubChem CID 86699768) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide
PubChem CID86699768
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide
SMILESCCc1cc(Br)cc(CC)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H19BrN2O/c1-3-13-11-16(21)12-14(4-2)18(13)20(24)23-17-9-5-7-15-8-6-10-22-19(15)17/h5-12H,3-4H2,1-2H3,(H,23,24)
InChIKeyWTPDSNQSKMPMSR-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide (CID 86699768) is 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide is CCc1cc(Br)cc(CC)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide?
The InChIKey is WTPDSNQSKMPMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-3-13-11-16(21)12-14(4-2)18(13)20(24)23-17-9-5-7-15-8-6-10-22-19(15)17/h5-12H,3-4H2,1-2H3,(H,23,24).
What are the key properties of 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide?
4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide has a molecular weight of 383.29 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diethyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 86699768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).