methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate

C19H19FN2O5 — CID 69065040

IUPACmethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILESCOC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H19FN2O5/c1-21-15(19(25)27-3)13-8-9-22(10-11-4-6-12(20)7-5-11)17(23)14(13)16(26-2)18(21)24/h4-7H,8-10H2,1-3H3
InChIKeyBAJOPAMRVWWWKF-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.52
Rot. Bonds4

About methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate

methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate (PubChem CID 69065040) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
PubChem CID69065040
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Namemethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILESCOC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C19H19FN2O5/c1-21-15(19(25)27-3)13-8-9-22(10-11-4-6-12(20)7-5-11)17(23)14(13)16(26-2)18(21)24/h4-7H,8-10H2,1-3H3
InChIKeyBAJOPAMRVWWWKF-UHFFFAOYSA-N
XLogP1.52
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The IUPAC name of methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate (CID 69065040) is methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate.
What is the SMILES notation for methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The canonical SMILES for methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate is COC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The InChIKey is BAJOPAMRVWWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-21-15(19(25)27-3)13-8-9-22(10-11-4-6-12(20)7-5-11)17(23)14(13)16(26-2)18(21)24/h4-7H,8-10H2,1-3H3.
What are the key properties of methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate has a molecular weight of 374.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate is sourced from PubChem (CID 69065040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).