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

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Related Compounds

2-(7-bromo-1-methyl-2-oxoquinoline-3-carbonyl)cyclohexane-1,3-dione
CID 135034374
5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoropyrimidin-2-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 167510722
N-(2,4-difluorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619538
2-[6-bromo-4-(fluoromethyl)-1-oxophthalazin-2-yl]-N-(5-fluoropyrimidin-2-yl)acetamide
CID 162731842
6-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-N-(5-fluoro-2-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 168757189
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 103892084
2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371440
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840
N-(4-ethenylphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 123866376
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
N-(2-chlorophenyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619491

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).