methyl 3,7-dichloroquinoline-6-carboxylate

C11H7Cl2NO2 — CID 57210389

IUPACmethyl 3,7-dichloroquinoline-6-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cnc2cc1Cl
InChIInChI=1S/C11H7Cl2NO2/c1-16-11(15)8-3-6-2-7(12)5-14-10(6)4-9(8)13/h2-5H,1H3
InChIKeyBXGTULFZUHPLPH-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.33
Rot. Bonds1

About methyl 3,7-dichloroquinoline-6-carboxylate

methyl 3,7-dichloroquinoline-6-carboxylate (PubChem CID 57210389) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is methyl 3,7-dichloroquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,7-dichloroquinoline-6-carboxylate
PubChem CID57210389
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Namemethyl 3,7-dichloroquinoline-6-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cnc2cc1Cl
InChIInChI=1S/C11H7Cl2NO2/c1-16-11(15)8-3-6-2-7(12)5-14-10(6)4-9(8)13/h2-5H,1H3
InChIKeyBXGTULFZUHPLPH-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-iodopyridine-3-carboxylate
CID 133059273
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
methyl 5-chloro-2-(propylamino)pyridine-3-carboxylate
CID 19791897
methyl 2-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylate
CID 134178625
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 4,6-dichloroquinazoline-7-carboxylate
CID 87627489
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
1-(7-chloro-3-methylquinolin-6-yl)propan-1-one
CID 57319411
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
methyl 2-chloro-5-ethynyl-4-fluorobenzoate
CID 86032898
methyl 2-chloro-4-methylsulfanylpyrimidine-5-carboxylate
CID 89398355

Frequently Asked Questions

What is the IUPAC name of methyl 3,7-dichloroquinoline-6-carboxylate?
The IUPAC name of methyl 3,7-dichloroquinoline-6-carboxylate (CID 57210389) is methyl 3,7-dichloroquinoline-6-carboxylate.
What is the SMILES notation for methyl 3,7-dichloroquinoline-6-carboxylate?
The canonical SMILES for methyl 3,7-dichloroquinoline-6-carboxylate is COC(=O)c1cc2cc(Cl)cnc2cc1Cl.
What is the InChIKey of methyl 3,7-dichloroquinoline-6-carboxylate?
The InChIKey is BXGTULFZUHPLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c1-16-11(15)8-3-6-2-7(12)5-14-10(6)4-9(8)13/h2-5H,1H3.
What are the key properties of methyl 3,7-dichloroquinoline-6-carboxylate?
methyl 3,7-dichloroquinoline-6-carboxylate has a molecular weight of 256.09 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,7-dichloroquinoline-6-carboxylate is sourced from PubChem (CID 57210389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).