ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate

C26H35FN2O6 — CID 142301245

IUPACethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
SMILESCCOC(=O)c1cn2c(c(F)c1=O)-c1nc(OC)c(OCCCOC)cc1C(CC)C2C(C)(C)C
InChIInChI=1S/C26H35FN2O6/c1-8-15-16-13-18(35-12-10-11-32-6)24(33-7)28-20(16)21-19(27)22(30)17(25(31)34-9-2)14-29(21)23(15)26(3,4)5/h13-15,23H,8-12H2,1-7H3
InChIKeyGUFQZFVGVJPFAI-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.74
Rot. Bonds9

About ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate

ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate (PubChem CID 142301245) has the molecular formula C26H35FN2O6 and a molecular weight of 490.57 g/mol. Its IUPAC name is ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate.

Molecular Properties

Compound Nameethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
PubChem CID142301245
Molecular FormulaC26H35FN2O6
Molecular Weight490.57 g/mol
Exact Mass490.25
IUPAC Nameethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
SMILESCCOC(=O)c1cn2c(c(F)c1=O)-c1nc(OC)c(OCCCOC)cc1C(CC)C2C(C)(C)C
InChIInChI=1S/C26H35FN2O6/c1-8-15-16-13-18(35-12-10-11-32-6)24(33-7)28-20(16)21-19(27)22(30)17(25(31)34-9-2)14-29(21)23(15)26(3,4)5/h13-15,23H,8-12H2,1-7H3
InChIKeyGUFQZFVGVJPFAI-UHFFFAOYSA-N
XLogP4.74
TPSA88.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate with MolForge

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Related Compounds

ethyl (6S)-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879831
3-acetyl-6-tert-butyl-1-fluoro-10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 135132543
ethyl (6S)-6-tert-butyl-2-chloro-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
CID 138534419
ethyl 6-tert-butyl-2-chloro-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
CID 175051309
(6R)-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134223959
3-acetyl-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 135132542
(6S)-3-acetyl-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 135132545
(6S)-6-tert-butyl-10-chloro-1-fluoro-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;sulfane
CID 158770990
(6S)-6-tert-butyl-1-fluoro-9-(3-methoxypropoxy)-2-oxo-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134210692
2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462144
ethyl (6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 126538627
(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462206

Frequently Asked Questions

What is the IUPAC name of ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The IUPAC name of ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate (CID 142301245) is ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate.
What is the SMILES notation for ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The canonical SMILES for ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate is CCOC(=O)c1cn2c(c(F)c1=O)-c1nc(OC)c(OCCCOC)cc1C(CC)C2C(C)(C)C.
What is the InChIKey of ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
The InChIKey is GUFQZFVGVJPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O6/c1-8-15-16-13-18(35-12-10-11-32-6)24(33-7)28-20(16)21-19(27)22(30)17(25(31)34-9-2)14-29(21)23(15)26(3,4)5/h13-15,23H,8-12H2,1-7H3.
What are the key properties of ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate?
ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate has a molecular weight of 490.57 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-tert-butyl-5-ethyl-11-fluoro-2-methoxy-3-(3-methoxypropoxy)-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate is sourced from PubChem (CID 142301245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).