4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide

C14H15ClN2O — CID 59810771

IUPAC4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide
SMILESCCc1c(C)nc2ccc(C(=O)NC)cc2c1Cl
InChIInChI=1S/C14H15ClN2O/c1-4-10-8(2)17-12-6-5-9(14(18)16-3)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,16,18)
InChIKeyIMHCQFIRJJGQJH-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.12
Rot. Bonds2

About 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide

4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide (PubChem CID 59810771) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide
PubChem CID59810771
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide
SMILESCCc1c(C)nc2ccc(C(=O)NC)cc2c1Cl
InChIInChI=1S/C14H15ClN2O/c1-4-10-8(2)17-12-6-5-9(14(18)16-3)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,16,18)
InChIKeyIMHCQFIRJJGQJH-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide (CID 59810771) is 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide is CCc1c(C)nc2ccc(C(=O)NC)cc2c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide?
The InChIKey is IMHCQFIRJJGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-4-10-8(2)17-12-6-5-9(14(18)16-3)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide?
4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 59810771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).