5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide

C20H19BrN2O — CID 23833429

IUPAC5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
SMILESCc1ccc2cccc(NC(=O)c3cc(Br)c(C)c(C)c3C)c2n1
InChIInChI=1S/C20H19BrN2O/c1-11-8-9-15-6-5-7-18(19(15)22-11)23-20(24)16-10-17(21)14(4)12(2)13(16)3/h5-10H,1-4H3,(H,23,24)
InChIKeySCQSHVIYUUSPII-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.48
Rot. Bonds2

About 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide

5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide (PubChem CID 23833429) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
PubChem CID23833429
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
SMILESCc1ccc2cccc(NC(=O)c3cc(Br)c(C)c(C)c3C)c2n1
InChIInChI=1S/C20H19BrN2O/c1-11-8-9-15-6-5-7-18(19(15)22-11)23-20(24)16-10-17(21)14(4)12(2)13(16)3/h5-10H,1-4H3,(H,23,24)
InChIKeySCQSHVIYUUSPII-UHFFFAOYSA-N
XLogP5.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
N-(2-methylquinolin-8-yl)pyrene-1-carboxamide
CID 168859940
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 62954640
3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
3-acetamido-N-(2-methylquinolin-8-yl)benzamide
CID 110745574
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-(4-bromothiophen-2-yl)-2-methylquinoline-8-carboxamide
CID 130336247
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide?
The IUPAC name of 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide (CID 23833429) is 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide.
What is the SMILES notation for 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide?
The canonical SMILES for 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide is Cc1ccc2cccc(NC(=O)c3cc(Br)c(C)c(C)c3C)c2n1.
What is the InChIKey of 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide?
The InChIKey is SCQSHVIYUUSPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-11-8-9-15-6-5-7-18(19(15)22-11)23-20(24)16-10-17(21)14(4)12(2)13(16)3/h5-10H,1-4H3,(H,23,24).
What are the key properties of 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide?
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide has a molecular weight of 383.29 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide is sourced from PubChem (CID 23833429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).