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

C23H30N2O6 — CID 139462087

IUPAC6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCCC1(C(C)C)Cc2cc(OCCCOC)c(OC)nc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C23H30N2O6/c1-6-23(14(2)3)12-15-10-19(31-9-7-8-29-4)21(30-5)24-20(15)17-11-18(26)16(22(27)28)13-25(17)23/h10-11,13-14H,6-9,12H2,1-5H3,(H,27,28)
InChIKeyFXNAFJCHAJLXPI-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.35
Rot. Bonds9

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

6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 139462087) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID139462087
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCCC1(C(C)C)Cc2cc(OCCCOC)c(OC)nc2-c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C23H30N2O6/c1-6-23(14(2)3)12-15-10-19(31-9-7-8-29-4)21(30-5)24-20(15)17-11-18(26)16(22(27)28)13-25(17)23/h10-11,13-14H,6-9,12H2,1-5H3,(H,27,28)
InChIKeyFXNAFJCHAJLXPI-UHFFFAOYSA-N
XLogP3.35
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 139462087) is 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is CCC1(C(C)C)Cc2cc(OCCCOC)c(OC)nc2-c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is FXNAFJCHAJLXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-6-23(14(2)3)12-15-10-19(31-9-7-8-29-4)21(30-5)24-20(15)17-11-18(26)16(22(27)28)13-25(17)23/h10-11,13-14H,6-9,12H2,1-5H3,(H,27,28).
What are the key properties of 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 139462087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).