7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide

C15H10BrFN4O2 — CID 167510736

IUPAC7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncc(F)cn2)cc2ccc(Br)cc21
InChIInChI=1S/C15H10BrFN4O2/c1-21-12-5-9(16)3-2-8(12)4-11(14(21)23)13(22)20-15-18-6-10(17)7-19-15/h2-7H,1H3,(H,18,19,20,22)
InChIKeyGIVADOUNQNJJJW-UHFFFAOYSA-N
MW377.17 g/mol
LogP2.48
Rot. Bonds2

About 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide

7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 167510736) has the molecular formula C15H10BrFN4O2 and a molecular weight of 377.17 g/mol. Its IUPAC name is 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID167510736
Molecular FormulaC15H10BrFN4O2
Molecular Weight377.17 g/mol
Exact Mass376.00
IUPAC Name7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ncc(F)cn2)cc2ccc(Br)cc21
InChIInChI=1S/C15H10BrFN4O2/c1-21-12-5-9(16)3-2-8(12)4-11(14(21)23)13(22)20-15-18-6-10(17)7-19-15/h2-7H,1H3,(H,18,19,20,22)
InChIKeyGIVADOUNQNJJJW-UHFFFAOYSA-N
XLogP2.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 167510736) is 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)Nc2ncc(F)cn2)cc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is GIVADOUNQNJJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4O2/c1-21-12-5-9(16)3-2-8(12)4-11(14(21)23)13(22)20-15-18-6-10(17)7-19-15/h2-7H,1H3,(H,18,19,20,22).
What are the key properties of 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide?
7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 377.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 167510736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).