5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide

C19H13BrN2O2 — CID 9405214

IUPAC5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3cccnc23)oc2ccc(Br)cc12
InChIInChI=1S/C19H13BrN2O2/c1-11-14-10-13(20)7-8-16(14)24-18(11)19(23)22-15-6-2-4-12-5-3-9-21-17(12)15/h2-10H,1H3,(H,22,23)
InChIKeyDMWLNESUSLCJRU-UHFFFAOYSA-N
MW381.23 g/mol
LogP5.30
Rot. Bonds2

About 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide (PubChem CID 9405214) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
PubChem CID9405214
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3cccnc23)oc2ccc(Br)cc12
InChIInChI=1S/C19H13BrN2O2/c1-11-14-10-13(20)7-8-16(14)24-18(11)19(23)22-15-6-2-4-12-5-3-9-21-17(12)15/h2-10H,1H3,(H,22,23)
InChIKeyDMWLNESUSLCJRU-UHFFFAOYSA-N
XLogP5.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-hydroxy-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
CID 18109302
5-bromo-3-methyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 17461489
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
5-bromo-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 3385821
5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
3-methyl-N-quinolin-8-ylfuran-2-carboxamide
CID 17461248
6-bromo-2-methyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]quinoline-4-carboxamide
CID 60622514
5-bromo-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-1-benzofuran-2-carboxamide
CID 55980201
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
CID 8873313
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide (CID 9405214) is 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc3cccnc23)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide?
The InChIKey is DMWLNESUSLCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c1-11-14-10-13(20)7-8-16(14)24-18(11)19(23)22-15-6-2-4-12-5-3-9-21-17(12)15/h2-10H,1H3,(H,22,23).
What are the key properties of 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide has a molecular weight of 381.23 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9405214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).