2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane

C38H44N4O8 — CID 142554068

IUPAC2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane
SMILESCCC.COc1nc2c(cc1O)CC1(CCC1)n1cc(C(=O)O)c(=O)cc1-2.Cc1cc2c(nc1C)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C18H20N2O3.C17H16N2O5.C3H8/c1-9(2)15-6-14-12(5-10(3)11(4)19-14)16-7-17(21)13(18(22)23)8-20(15)16;1-24-15-13(21)5-9-7-17(3-2-4-17)19-8-10(16(22)23)12(20)6-11(19)14(9)18-15;1-3-2/h5,7-9,15H,6H2,1-4H3,(H,22,23);5-6,8,21H,2-4,7H2,1H3,(H,22,23);3H2,1-2H3
InChIKeyPAQFWGJXLZUROI-UHFFFAOYSA-N
MW684.79 g/mol
LogP6.15
Rot. Bonds4

About 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane

2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane (PubChem CID 142554068) has the molecular formula C38H44N4O8 and a molecular weight of 684.79 g/mol. Its IUPAC name is 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane.

Molecular Properties

Compound Name2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane
PubChem CID142554068
Molecular FormulaC38H44N4O8
Molecular Weight684.79 g/mol
Exact Mass684.32
IUPAC Name2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane
SMILESCCC.COc1nc2c(cc1O)CC1(CCC1)n1cc(C(=O)O)c(=O)cc1-2.Cc1cc2c(nc1C)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C18H20N2O3.C17H16N2O5.C3H8/c1-9(2)15-6-14-12(5-10(3)11(4)19-14)16-7-17(21)13(18(22)23)8-20(15)16;1-24-15-13(21)5-9-7-17(3-2-4-17)19-8-10(16(22)23)12(20)6-11(19)14(9)18-15;1-3-2/h5,7-9,15H,6H2,1-4H3,(H,22,23);5-6,8,21H,2-4,7H2,1H3,(H,22,23);3H2,1-2H3
InChIKeyPAQFWGJXLZUROI-UHFFFAOYSA-N
XLogP6.15
TPSA173.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.79
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane?
The IUPAC name of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane (CID 142554068) is 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane.
What is the SMILES notation for 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane?
The canonical SMILES for 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane is CCC.COc1nc2c(cc1O)CC1(CCC1)n1cc(C(=O)O)c(=O)cc1-2.Cc1cc2c(nc1C)CC(C(C)C)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane?
The InChIKey is PAQFWGJXLZUROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.C17H16N2O5.C3H8/c1-9(2)15-6-14-12(5-10(3)11(4)19-14)16-7-17(21)13(18(22)23)8-20(15)16;1-24-15-13(21)5-9-7-17(3-2-4-17)19-8-10(16(22)23)12(20)6-11(19)14(9)18-15;1-3-2/h5,7-9,15H,6H2,1-4H3,(H,22,23);5-6,8,21H,2-4,7H2,1H3,(H,22,23);3H2,1-2H3.
What are the key properties of 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane?
2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane has a molecular weight of 684.79 g/mol, XLogP of 6.15, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-10-oxo-6-propan-2-yl-5,6-dihydropyrido[2,1-f][1,6]naphthyridine-9-carboxylic acid;3-hydroxy-2-methoxy-10-oxospiro[5H-pyrido[1,2-h][1,7]naphthyridine-6,1'-cyclobutane]-9-carboxylic acid;propane is sourced from PubChem (CID 142554068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).