7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one

C29H39N3O3 — CID 143612686

IUPAC7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(CCC3CCC(CC/C4=N/C=C(\C)CCC(=O)CCC4)CC3)c2n1
InChIInChI=1S/C29H39N3O3/c1-21-6-15-26(33)5-3-4-25(30-20-21)14-11-22-7-9-23(10-8-22)18-19-32-28(34)17-13-24-12-16-27(35-2)31-29(24)32/h12-13,16-17,20,22-23H,3-11,14-15,18-19H2,1-2H3/b21-20+,30-25+
InChIKeyMUCRMAQINYRAKO-VEDAXKGDSA-N
MW477.65 g/mol
LogP6.26
Rot. Bonds7

About 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one

7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one (PubChem CID 143612686) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one
PubChem CID143612686
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(CCC3CCC(CC/C4=N/C=C(\C)CCC(=O)CCC4)CC3)c2n1
InChIInChI=1S/C29H39N3O3/c1-21-6-15-26(33)5-3-4-25(30-20-21)14-11-22-7-9-23(10-8-22)18-19-32-28(34)17-13-24-12-16-27(35-2)31-29(24)32/h12-13,16-17,20,22-23H,3-11,14-15,18-19H2,1-2H3/b21-20+,30-25+
InChIKeyMUCRMAQINYRAKO-VEDAXKGDSA-N
XLogP6.26
TPSA73.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one?
The IUPAC name of 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one (CID 143612686) is 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one is COc1ccc2ccc(=O)n(CCC3CCC(CC/C4=N/C=C(\C)CCC(=O)CCC4)CC3)c2n1.
What is the InChIKey of 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one?
The InChIKey is MUCRMAQINYRAKO-VEDAXKGDSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-21-6-15-26(33)5-3-4-25(30-20-21)14-11-22-7-9-23(10-8-22)18-19-32-28(34)17-13-24-12-16-27(35-2)31-29(24)32/h12-13,16-17,20,22-23H,3-11,14-15,18-19H2,1-2H3/b21-20+,30-25+.
What are the key properties of 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one?
7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one has a molecular weight of 477.65 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[2-[4-[2-[(9E)-9-methyl-6-oxo-4,5,7,8-tetrahydro-3H-azecin-2-yl]ethyl]cyclohexyl]ethyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 143612686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).