N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C22H15ClFN3O4 — CID 54727143

IUPACN-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c(O)c3cccnc32)c1
InChIInChI=1S/C22H15ClFN3O4/c1-31-14-5-2-4-13(11-14)27-20-15(6-3-9-25-20)19(28)18(22(27)30)21(29)26-12-7-8-17(24)16(23)10-12/h2-11,28H,1H3,(H,26,29)
InChIKeyMIPSJMADHTTZBI-UHFFFAOYSA-N
MW439.83 g/mol
LogP4.14
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727143) has the molecular formula C22H15ClFN3O4 and a molecular weight of 439.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727143
Molecular FormulaC22H15ClFN3O4
Molecular Weight439.83 g/mol
Exact Mass439.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c(O)c3cccnc32)c1
InChIInChI=1S/C22H15ClFN3O4/c1-31-14-5-2-4-13(11-14)27-20-15(6-3-9-25-20)19(28)18(22(27)30)21(29)26-12-7-8-17(24)16(23)10-12/h2-11,28H,1H3,(H,26,29)
InChIKeyMIPSJMADHTTZBI-UHFFFAOYSA-N
XLogP4.14
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727143) is N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(F)c(Cl)c3)c(O)c3cccnc32)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MIPSJMADHTTZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O4/c1-31-14-5-2-4-13(11-14)27-20-15(6-3-9-25-20)19(28)18(22(27)30)21(29)26-12-7-8-17(24)16(23)10-12/h2-11,28H,1H3,(H,26,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 439.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).