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

C19H14N2O2 — CID 8873313

IUPAC3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3ncccc23)oc2ccccc12
InChIInChI=1S/C19H14N2O2/c1-12-13-6-2-3-10-17(13)23-18(12)19(22)21-16-9-4-8-15-14(16)7-5-11-20-15/h2-11H,1H3,(H,21,22)
InChIKeyYJSRGJRVKSPUQA-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.54
Rot. Bonds2

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

3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide (PubChem CID 8873313) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
PubChem CID8873313
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3ncccc23)oc2ccccc12
InChIInChI=1S/C19H14N2O2/c1-12-13-6-2-3-10-17(13)23-18(12)19(22)21-16-9-4-8-15-14(16)7-5-11-20-15/h2-11H,1H3,(H,21,22)
InChIKeyYJSRGJRVKSPUQA-UHFFFAOYSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-quinolin-5-ylfuran-2-carboxamide
CID 9452246
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
3-methyl-N-(2-phenylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 108793551
CID 73213052
CID 73213052
5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
CID 146080713
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400
5-bromo-3-methyl-N-quinolin-8-yl-1-benzofuran-2-carboxamide
CID 9405214
methyl N-quinolin-5-ylcarbamate
CID 110734012
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8919323
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide (CID 8873313) is 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc3ncccc23)oc2ccccc12.
What is the InChIKey of 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide?
The InChIKey is YJSRGJRVKSPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-12-13-6-2-3-10-17(13)23-18(12)19(22)21-16-9-4-8-15-14(16)7-5-11-20-15/h2-11H,1H3,(H,21,22).
What are the key properties of 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide?
3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-quinolin-5-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8873313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).