8-chloro-2-methylquinoline-4-carboxamide

C11H9ClN2O — CID 53016165

IUPAC8-chloro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2cccc(Cl)c2n1
InChIInChI=1S/C11H9ClN2O/c1-6-5-8(11(13)15)7-3-2-4-9(12)10(7)14-6/h2-5H,1H3,(H2,13,15)
InChIKeyWNRORBRCPQODLC-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.30
Rot. Bonds1

About 8-chloro-2-methylquinoline-4-carboxamide

8-chloro-2-methylquinoline-4-carboxamide (PubChem CID 53016165) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 8-chloro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-methylquinoline-4-carboxamide
PubChem CID53016165
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name8-chloro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(N)=O)c2cccc(Cl)c2n1
InChIInChI=1S/C11H9ClN2O/c1-6-5-8(11(13)15)7-3-2-4-9(12)10(7)14-6/h2-5H,1H3,(H2,13,15)
InChIKeyWNRORBRCPQODLC-UHFFFAOYSA-N
XLogP2.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-methylquinoline-4-carboxamide (CID 53016165) is 8-chloro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-methylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-methylquinoline-4-carboxamide is Cc1cc(C(N)=O)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-2-methylquinoline-4-carboxamide?
The InChIKey is WNRORBRCPQODLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-6-5-8(11(13)15)7-3-2-4-9(12)10(7)14-6/h2-5H,1H3,(H2,13,15).
What are the key properties of 8-chloro-2-methylquinoline-4-carboxamide?
8-chloro-2-methylquinoline-4-carboxamide has a molecular weight of 220.66 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 53016165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).