1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate

C18H14BrFN2O3 — CID 175869755

IUPAC1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCC(Cc1ccc(F)cc1Br)OC(=O)c1cc2cccnc2[nH]c1=O
InChIInChI=1S/C18H14BrFN2O3/c1-10(7-11-4-5-13(20)9-15(11)19)25-18(24)14-8-12-3-2-6-21-16(12)22-17(14)23/h2-6,8-10H,7H2,1H3,(H,21,22,23)
InChIKeyBZWWABGYOURYBE-UHFFFAOYSA-N
MW405.22 g/mol
LogP3.61
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate

1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 175869755) has the molecular formula C18H14BrFN2O3 and a molecular weight of 405.22 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID175869755
Molecular FormulaC18H14BrFN2O3
Molecular Weight405.22 g/mol
Exact Mass404.02
IUPAC Name1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCC(Cc1ccc(F)cc1Br)OC(=O)c1cc2cccnc2[nH]c1=O
InChIInChI=1S/C18H14BrFN2O3/c1-10(7-11-4-5-13(20)9-15(11)19)25-18(24)14-8-12-3-2-6-21-16(12)22-17(14)23/h2-6,8-10H,7H2,1H3,(H,21,22,23)
InChIKeyBZWWABGYOURYBE-UHFFFAOYSA-N
XLogP3.61
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 175869755) is 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate is CC(Cc1ccc(F)cc1Br)OC(=O)c1cc2cccnc2[nH]c1=O.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is BZWWABGYOURYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O3/c1-10(7-11-4-5-13(20)9-15(11)19)25-18(24)14-8-12-3-2-6-21-16(12)22-17(14)23/h2-6,8-10H,7H2,1H3,(H,21,22,23).
What are the key properties of 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate?
1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 405.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)propan-2-yl 2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 175869755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).