2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

C18H20N2O5 — CID 139462377

IUPAC2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2
InChIInChI=1S/C18H20N2O5/c1-9(2)12-5-10-6-15(24-3)17(25-4)19-16(10)13-7-14(21)11(18(22)23)8-20(12)13/h6-9,12H,5H2,1-4H3,(H,22,23)
InChIKeyGNRXVYQYCBVKET-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.38
Rot. Bonds4

About 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 139462377) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID139462377
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2
InChIInChI=1S/C18H20N2O5/c1-9(2)12-5-10-6-15(24-3)17(25-4)19-16(10)13-7-14(21)11(18(22)23)8-20(12)13/h6-9,12H,5H2,1-4H3,(H,22,23)
InChIKeyGNRXVYQYCBVKET-UHFFFAOYSA-N
XLogP2.38
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 139462377) is 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is COc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2.
What is the InChIKey of 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is GNRXVYQYCBVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-9(2)12-5-10-6-15(24-3)17(25-4)19-16(10)13-7-14(21)11(18(22)23)8-20(12)13/h6-9,12H,5H2,1-4H3,(H,22,23).
What are the key properties of 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 139462377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).