2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid

C19H12ClNO3 — CID 5024096

IUPAC2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)cc(-c3cc4ccccc4o3)nc12
InChIInChI=1S/C19H12ClNO3/c1-10-6-7-13(20)17-12(19(22)23)9-14(21-18(10)17)16-8-11-4-2-3-5-15(11)24-16/h2-9H,1H3,(H,22,23)
InChIKeyUROIVMOVLNZQRB-UHFFFAOYSA-N
MW337.76 g/mol
LogP5.31
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid

2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid (PubChem CID 5024096) has the molecular formula C19H12ClNO3 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
PubChem CID5024096
Molecular FormulaC19H12ClNO3
Molecular Weight337.76 g/mol
Exact Mass337.05
IUPAC Name2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)cc(-c3cc4ccccc4o3)nc12
InChIInChI=1S/C19H12ClNO3/c1-10-6-7-13(20)17-12(19(22)23)9-14(21-18(10)17)16-8-11-4-2-3-5-15(11)24-16/h2-9H,1H3,(H,22,23)
InChIKeyUROIVMOVLNZQRB-UHFFFAOYSA-N
XLogP5.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.76
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 4034964
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
2-(6-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4611489
2-(5-bromofuran-2-yl)-5,8-dichloroquinoline-4-carboxylic acid
CID 106988492
5-hydroxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 137049443
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
2-(5-bromo-1-benzofuran-2-yl)-8-chloroquinoline-4-carboxylic acid
CID 4265645
5,8-dichloro-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 106988523
5-methoxy-8-methyl-2-(3-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 140923725

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid (CID 5024096) is 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid is Cc1ccc(Cl)c2c(C(=O)O)cc(-c3cc4ccccc4o3)nc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid?
The InChIKey is UROIVMOVLNZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3/c1-10-6-7-13(20)17-12(19(22)23)9-14(21-18(10)17)16-8-11-4-2-3-5-15(11)24-16/h2-9H,1H3,(H,22,23).
What are the key properties of 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid?
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid has a molecular weight of 337.76 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 5024096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).