4-chloro-7-methoxyquinoline-6-carboxamide

C11H9ClN2O2 — CID 22936418

IUPAC4-chloro-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Cl)c2cc1C(N)=O
InChIInChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
InChIKeyZBTVNIDMGKZSGC-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.00
Rot. Bonds2

About 4-chloro-7-methoxyquinoline-6-carboxamide

4-chloro-7-methoxyquinoline-6-carboxamide (PubChem CID 22936418) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-chloro-7-methoxyquinoline-6-carboxamide
PubChem CID22936418
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name4-chloro-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Cl)c2cc1C(N)=O
InChIInChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
InChIKeyZBTVNIDMGKZSGC-UHFFFAOYSA-N
XLogP2.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-chloro-7-methoxyquinoline-6-carboxamide (CID 22936418) is 4-chloro-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-chloro-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-chloro-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Cl)c2cc1C(N)=O.
What is the InChIKey of 4-chloro-7-methoxyquinoline-6-carboxamide?
The InChIKey is ZBTVNIDMGKZSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15).
What are the key properties of 4-chloro-7-methoxyquinoline-6-carboxamide?
4-chloro-7-methoxyquinoline-6-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 22936418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).