2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid

C21H18ClNO3 — CID 25103102

IUPAC2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid
SMILESCc1ccc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc2c1C
InChIInChI=1S/C21H18ClNO3/c1-11-3-8-15-16(20(25)26)18(24)19(23-17(15)12(11)2)21(9-10-21)13-4-6-14(22)7-5-13/h3-8,24H,9-10H2,1-2H3,(H,25,26)
InChIKeyFUHSQIQHVOBKIJ-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.99
Rot. Bonds3

About 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid

2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid (PubChem CID 25103102) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid
PubChem CID25103102
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid
SMILESCc1ccc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc2c1C
InChIInChI=1S/C21H18ClNO3/c1-11-3-8-15-16(20(25)26)18(24)19(23-17(15)12(11)2)21(9-10-21)13-4-6-14(22)7-5-13/h3-8,24H,9-10H2,1-2H3,(H,25,26)
InChIKeyFUHSQIQHVOBKIJ-UHFFFAOYSA-N
XLogP4.99
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid (CID 25103102) is 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid is Cc1ccc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc2c1C.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is FUHSQIQHVOBKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-11-3-8-15-16(20(25)26)18(24)19(23-17(15)12(11)2)21(9-10-21)13-4-6-14(22)7-5-13/h3-8,24H,9-10H2,1-2H3,(H,25,26).
What are the key properties of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid?
2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 367.83 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 25103102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).