methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate

C19H22N2O5 — CID 142755159

IUPACmethyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
SMILESCOC(=O)c1cn2c(cc1=O)-c1c(cc(OC)c(=O)n1C)C[C@H]2C(C)C
InChIInChI=1S/C19H22N2O5/c1-10(2)13-6-11-7-16(25-4)18(23)20(3)17(11)14-8-15(22)12(9-21(13)14)19(24)26-5/h7-10,13H,6H2,1-5H3/t13-/m0/s1
InChIKeyWSCPHQMLHLPNEM-ZDUSSCGKSA-N
MW358.39 g/mol
LogP1.76
Rot. Bonds3

About methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate

methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate (PubChem CID 142755159) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
PubChem CID142755159
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
SMILESCOC(=O)c1cn2c(cc1=O)-c1c(cc(OC)c(=O)n1C)C[C@H]2C(C)C
InChIInChI=1S/C19H22N2O5/c1-10(2)13-6-11-7-16(25-4)18(23)20(3)17(11)14-8-15(22)12(9-21(13)14)19(24)26-5/h7-10,13H,6H2,1-5H3/t13-/m0/s1
InChIKeyWSCPHQMLHLPNEM-ZDUSSCGKSA-N
XLogP1.76
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The IUPAC name of methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate (CID 142755159) is methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate.
What is the SMILES notation for methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The canonical SMILES for methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate is COC(=O)c1cn2c(cc1=O)-c1c(cc(OC)c(=O)n1C)C[C@H]2C(C)C.
What is the InChIKey of methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The InChIKey is WSCPHQMLHLPNEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-10(2)13-6-11-7-16(25-4)18(23)20(3)17(11)14-8-15(22)12(9-21(13)14)19(24)26-5/h7-10,13H,6H2,1-5H3/t13-/m0/s1.
What are the key properties of methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-3-methoxy-1-methyl-2,10-dioxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate is sourced from PubChem (CID 142755159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).