7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide

C19H16BrFN2O2 — CID 56847016

IUPAC7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)c(=O)n(C)c2cc(Br)ccc12
InChIInChI=1S/C19H16BrFN2O2/c1-11-15-8-5-13(20)9-16(15)23(2)19(25)17(11)18(24)22-10-12-3-6-14(21)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyVMYJYWYRSXJSOP-UHFFFAOYSA-N
MW403.25 g/mol
LogP3.68
Rot. Bonds3

About 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide

7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide (PubChem CID 56847016) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide
PubChem CID56847016
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)c(=O)n(C)c2cc(Br)ccc12
InChIInChI=1S/C19H16BrFN2O2/c1-11-15-8-5-13(20)9-16(15)23(2)19(25)17(11)18(24)22-10-12-3-6-14(21)7-4-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyVMYJYWYRSXJSOP-UHFFFAOYSA-N
XLogP3.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide (CID 56847016) is 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide is Cc1c(C(=O)NCc2ccc(F)cc2)c(=O)n(C)c2cc(Br)ccc12.
What is the InChIKey of 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide?
The InChIKey is VMYJYWYRSXJSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c1-11-15-8-5-13(20)9-16(15)23(2)19(25)17(11)18(24)22-10-12-3-6-14(21)7-4-12/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide?
7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide has a molecular weight of 403.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4-fluorophenyl)methyl]-1,4-dimethyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 56847016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).