2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

C20H25FN2O — CID 3184553

IUPAC2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCCc1nc2ccc(F)cc2c(C(=O)NC2CCCCC2C)c1C
InChIInChI=1S/C20H25FN2O/c1-4-16-13(3)19(15-11-14(21)9-10-18(15)22-16)20(24)23-17-8-6-5-7-12(17)2/h9-12,17H,4-8H2,1-3H3,(H,23,24)
InChIKeyWEKTWUWLWLMTRG-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.55
Rot. Bonds3

About 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide (PubChem CID 3184553) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
PubChem CID3184553
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCCc1nc2ccc(F)cc2c(C(=O)NC2CCCCC2C)c1C
InChIInChI=1S/C20H25FN2O/c1-4-16-13(3)19(15-11-14(21)9-10-18(15)22-16)20(24)23-17-8-6-5-7-12(17)2/h9-12,17H,4-8H2,1-3H3,(H,23,24)
InChIKeyWEKTWUWLWLMTRG-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide (CID 3184553) is 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide is CCc1nc2ccc(F)cc2c(C(=O)NC2CCCCC2C)c1C.
What is the InChIKey of 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is WEKTWUWLWLMTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-4-16-13(3)19(15-11-14(21)9-10-18(15)22-16)20(24)23-17-8-6-5-7-12(17)2/h9-12,17H,4-8H2,1-3H3,(H,23,24).
What are the key properties of 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3-methyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 3184553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).