7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide

C19H13ClN2O2 — CID 8006377

IUPAC7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)oc2c(Cl)cccc12
InChIInChI=1S/C19H13ClN2O2/c1-11-13-6-4-7-14(20)18(13)24-17(11)19(23)22-16-10-9-12-5-2-3-8-15(12)21-16/h2-10H,1H3,(H,21,22,23)
InChIKeyHLUKEMCDUYFCJV-UHFFFAOYSA-N
MW336.78 g/mol
LogP5.20
Rot. Bonds2

About 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide (PubChem CID 8006377) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
PubChem CID8006377
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)oc2c(Cl)cccc12
InChIInChI=1S/C19H13ClN2O2/c1-11-13-6-4-7-14(20)18(13)24-17(11)19(23)22-16-10-9-12-5-2-3-8-15(12)21-16/h2-10H,1H3,(H,21,22,23)
InChIKeyHLUKEMCDUYFCJV-UHFFFAOYSA-N
XLogP5.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.78
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16549789
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
7-chloro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16550500
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
N-(4-bromo-2-methylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16546165
7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 55850180
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148672
7-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17423477
N-(3-chloro-2,6-diethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7920539

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide (CID 8006377) is 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is HLUKEMCDUYFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-11-13-6-4-7-14(20)18(13)24-17(11)19(23)22-16-10-9-12-5-2-3-8-15(12)21-16/h2-10H,1H3,(H,21,22,23).
What are the key properties of 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-quinolin-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8006377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).