(2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one

C19H18N2O4 — CID 53484054

IUPAC(2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one
SMILESCOc1cc2c(c3c1c(=O)c1cccnc1n3C)C[C@H]([C@]1(C)CO1)O2
InChIInChI=1S/C19H18N2O4/c1-19(9-24-19)14-7-11-12(25-14)8-13(23-3)15-16(11)21(2)18-10(17(15)22)5-4-6-20-18/h4-6,8,14H,7,9H2,1-3H3/t14-,19+/m1/s1
InChIKeyNZFPFIHKBSWAOR-KUHUBIRLSA-N
MW338.36 g/mol
LogP2.19
Rot. Bonds2

About (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one

(2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one (PubChem CID 53484054) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name(2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one
PubChem CID53484054
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one
SMILESCOc1cc2c(c3c1c(=O)c1cccnc1n3C)C[C@H]([C@]1(C)CO1)O2
InChIInChI=1S/C19H18N2O4/c1-19(9-24-19)14-7-11-12(25-14)8-13(23-3)15-16(11)21(2)18-10(17(15)22)5-4-6-20-18/h4-6,8,14H,7,9H2,1-3H3/t14-,19+/m1/s1
InChIKeyNZFPFIHKBSWAOR-KUHUBIRLSA-N
XLogP2.19
TPSA65.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one?
The IUPAC name of (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one (CID 53484054) is (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one.
What is the SMILES notation for (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one?
The canonical SMILES for (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one is COc1cc2c(c3c1c(=O)c1cccnc1n3C)C[C@H]([C@]1(C)CO1)O2.
What is the InChIKey of (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one?
The InChIKey is NZFPFIHKBSWAOR-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-19(9-24-19)14-7-11-12(25-14)8-13(23-3)15-16(11)21(2)18-10(17(15)22)5-4-6-20-18/h4-6,8,14H,7,9H2,1-3H3/t14-,19+/m1/s1.
What are the key properties of (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one?
(2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one has a molecular weight of 338.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-11-methyl-2-[(2S)-2-methyloxiran-2-yl]-1,2-dihydro-[1]benzofuro[4,5-b][1,8]naphthyridin-6-one is sourced from PubChem (CID 53484054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).