(6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

C22H28N2O6 — CID 139462260

IUPAC(6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCOCCCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@](C)(C(C)C)C2
InChIInChI=1S/C22H28N2O6/c1-13(2)22(3)11-14-9-18(30-8-6-7-28-4)20(29-5)23-19(14)16-10-17(25)15(21(26)27)12-24(16)22/h9-10,12-13H,6-8,11H2,1-5H3,(H,26,27)/t22-/m0/s1
InChIKeyKDHLPMAIFBMGRW-QFIPXVFZSA-N
MW416.47 g/mol
LogP2.96
Rot. Bonds8

About (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

(6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 139462260) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID139462260
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name(6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCOCCCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@](C)(C(C)C)C2
InChIInChI=1S/C22H28N2O6/c1-13(2)22(3)11-14-9-18(30-8-6-7-28-4)20(29-5)23-19(14)16-10-17(25)15(21(26)27)12-24(16)22/h9-10,12-13H,6-8,11H2,1-5H3,(H,26,27)/t22-/m0/s1
InChIKeyKDHLPMAIFBMGRW-QFIPXVFZSA-N
XLogP2.96
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 139462260) is (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is COCCCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@](C)(C(C)C)C2.
What is the InChIKey of (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is KDHLPMAIFBMGRW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-13(2)22(3)11-14-9-18(30-8-6-7-28-4)20(29-5)23-19(14)16-10-17(25)15(21(26)27)12-24(16)22/h9-10,12-13H,6-8,11H2,1-5H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
(6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 416.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methoxy-3-(3-methoxypropoxy)-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 139462260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).