5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide

C18H14F2N2O3 — CID 71734220

IUPAC5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(N)=O)c(=O)c3c(F)ccc(F)c32)cc1
InChIInChI=1S/C18H14F2N2O3/c1-25-11-4-2-10(3-5-11)8-22-9-12(18(21)24)17(23)15-13(19)6-7-14(20)16(15)22/h2-7,9H,8H2,1H3,(H2,21,24)
InChIKeyXORHELMDUKYHGT-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.44
Rot. Bonds4

About 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide

5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 71734220) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID71734220
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(Cn2cc(C(N)=O)c(=O)c3c(F)ccc(F)c32)cc1
InChIInChI=1S/C18H14F2N2O3/c1-25-11-4-2-10(3-5-11)8-22-9-12(18(21)24)17(23)15-13(19)6-7-14(20)16(15)22/h2-7,9H,8H2,1H3,(H2,21,24)
InChIKeyXORHELMDUKYHGT-UHFFFAOYSA-N
XLogP2.44
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (CID 71734220) is 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is COc1ccc(Cn2cc(C(N)=O)c(=O)c3c(F)ccc(F)c32)cc1.
What is the InChIKey of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is XORHELMDUKYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-25-11-4-2-10(3-5-11)8-22-9-12(18(21)24)17(23)15-13(19)6-7-14(20)16(15)22/h2-7,9H,8H2,1H3,(H2,21,24).
What are the key properties of 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 344.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 71734220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).