4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide

C18H13FN2O2 — CID 88535454

IUPAC4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide
SMILESCc1ccc(-c2ccnc3c(C)cc(C(=O)N=O)cc23)c(F)c1
InChIInChI=1S/C18H13FN2O2/c1-10-3-4-14(16(19)7-10)13-5-6-20-17-11(2)8-12(9-15(13)17)18(22)21-23/h3-9H,1-2H3
InChIKeyPMUAXWQKKCKPLM-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.56
Rot. Bonds2

About 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide

4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide (PubChem CID 88535454) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide
PubChem CID88535454
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide
SMILESCc1ccc(-c2ccnc3c(C)cc(C(=O)N=O)cc23)c(F)c1
InChIInChI=1S/C18H13FN2O2/c1-10-3-4-14(16(19)7-10)13-5-6-20-17-11(2)8-12(9-15(13)17)18(22)21-23/h3-9H,1-2H3
InChIKeyPMUAXWQKKCKPLM-UHFFFAOYSA-N
XLogP4.56
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide (CID 88535454) is 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide is Cc1ccc(-c2ccnc3c(C)cc(C(=O)N=O)cc23)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide?
The InChIKey is PMUAXWQKKCKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c1-10-3-4-14(16(19)7-10)13-5-6-20-17-11(2)8-12(9-15(13)17)18(22)21-23/h3-9H,1-2H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide?
4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-8-methyl-N-oxoquinoline-6-carboxamide is sourced from PubChem (CID 88535454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).