5,7-dichloro-2-methylquinoline-4-carboxylate

C11H6Cl2NO2- — CID 7200781

IUPAC5,7-dichloro-2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)[O-])c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C11H7Cl2NO2/c1-5-2-7(11(15)16)10-8(13)3-6(12)4-9(10)14-5/h2-4H,1H3,(H,15,16)/p-1
InChIKeyHJXCDEDXEDDWDF-UHFFFAOYSA-M
MW255.08 g/mol
LogP2.21
Rot. Bonds1

About 5,7-dichloro-2-methylquinoline-4-carboxylate

5,7-dichloro-2-methylquinoline-4-carboxylate (PubChem CID 7200781) has the molecular formula C11H6Cl2NO2- and a molecular weight of 255.08 g/mol. Its IUPAC name is 5,7-dichloro-2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name5,7-dichloro-2-methylquinoline-4-carboxylate
PubChem CID7200781
Molecular FormulaC11H6Cl2NO2-
Molecular Weight255.08 g/mol
Exact Mass253.98
IUPAC Name5,7-dichloro-2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)[O-])c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C11H7Cl2NO2/c1-5-2-7(11(15)16)10-8(13)3-6(12)4-9(10)14-5/h2-4H,1H3,(H,15,16)/p-1
InChIKeyHJXCDEDXEDDWDF-UHFFFAOYSA-M
XLogP2.21
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449422
2,8-dimethylpyrido[3,2-g]quinoline-4,6-dicarboxylate
CID 3292528
diethyl 5,7-dichloroquinoline-2,4-dicarboxylate
CID 19747565
1-(2-tert-butyl-5,7-dichloroquinolin-4-yl)ethanone
CID 82449477
4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid
CID 67839502
4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577818
7-chloro-2-methylquinoline-4-carboxamide
CID 82574049
3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
CID 82576903
N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
CID 82449427
disodium;3,5-dichlorophthalate
CID 101143275
2-bromo-5,7-dichloro-4-methylquinoline
CID 82581017
3-(5,7-dichloro-4-methylquinolin-2-yl)propanamide
CID 82578415

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methylquinoline-4-carboxylate?
The IUPAC name of 5,7-dichloro-2-methylquinoline-4-carboxylate (CID 7200781) is 5,7-dichloro-2-methylquinoline-4-carboxylate.
What is the SMILES notation for 5,7-dichloro-2-methylquinoline-4-carboxylate?
The canonical SMILES for 5,7-dichloro-2-methylquinoline-4-carboxylate is Cc1cc(C(=O)[O-])c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 5,7-dichloro-2-methylquinoline-4-carboxylate?
The InChIKey is HJXCDEDXEDDWDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7Cl2NO2/c1-5-2-7(11(15)16)10-8(13)3-6(12)4-9(10)14-5/h2-4H,1H3,(H,15,16)/p-1.
What are the key properties of 5,7-dichloro-2-methylquinoline-4-carboxylate?
5,7-dichloro-2-methylquinoline-4-carboxylate has a molecular weight of 255.08 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methylquinoline-4-carboxylate is sourced from PubChem (CID 7200781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).