6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid

C15H10ClNO3 — CID 62631969

IUPAC6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccco2)nc2ccc(Cl)cc2c1C(=O)O
InChIInChI=1S/C15H10ClNO3/c1-8-13(15(18)19)10-7-9(16)4-5-11(10)17-14(8)12-3-2-6-20-12/h2-7H,1H3,(H,18,19)
InChIKeyHVTBIASNPDZPIK-UHFFFAOYSA-N
MW287.70 g/mol
LogP4.15
Rot. Bonds2

About 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid

6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid (PubChem CID 62631969) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
PubChem CID62631969
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccco2)nc2ccc(Cl)cc2c1C(=O)O
InChIInChI=1S/C15H10ClNO3/c1-8-13(15(18)19)10-7-9(16)4-5-11(10)17-14(8)12-3-2-6-20-12/h2-7H,1H3,(H,18,19)
InChIKeyHVTBIASNPDZPIK-UHFFFAOYSA-N
XLogP4.15
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid (CID 62631969) is 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid is Cc1c(-c2ccco2)nc2ccc(Cl)cc2c1C(=O)O.
What is the InChIKey of 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid?
The InChIKey is HVTBIASNPDZPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c1-8-13(15(18)19)10-7-9(16)4-5-11(10)17-14(8)12-3-2-6-20-12/h2-7H,1H3,(H,18,19).
What are the key properties of 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid?
6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(furan-2-yl)-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 62631969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).