benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate

C35H33N3O5 — CID 91305489

IUPACbenzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate
SMILESO=C(c1cc(Cc2ccccc2)cc(CN2CCOCC2)c1)C1C(=O)c2ncccc2CN1C(=O)OCc1ccccc1
InChIInChI=1S/C35H33N3O5/c39-33(30-20-27(18-25-8-3-1-4-9-25)19-28(21-30)22-37-14-16-42-17-15-37)32-34(40)31-29(12-7-13-36-31)23-38(32)35(41)43-24-26-10-5-2-6-11-26/h1-13,19-21,32H,14-18,22-24H2
InChIKeyXYMGGIQJAGCKJU-UHFFFAOYSA-N
MW575.67 g/mol
LogP5.09
Rot. Bonds8

About benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate

benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate (PubChem CID 91305489) has the molecular formula C35H33N3O5 and a molecular weight of 575.67 g/mol. Its IUPAC name is benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namebenzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate
PubChem CID91305489
Molecular FormulaC35H33N3O5
Molecular Weight575.67 g/mol
Exact Mass575.24
IUPAC Namebenzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate
SMILESO=C(c1cc(Cc2ccccc2)cc(CN2CCOCC2)c1)C1C(=O)c2ncccc2CN1C(=O)OCc1ccccc1
InChIInChI=1S/C35H33N3O5/c39-33(30-20-27(18-25-8-3-1-4-9-25)19-28(21-30)22-37-14-16-42-17-15-37)32-34(40)31-29(12-7-13-36-31)23-38(32)35(41)43-24-26-10-5-2-6-11-26/h1-13,19-21,32H,14-18,22-24H2
InChIKeyXYMGGIQJAGCKJU-UHFFFAOYSA-N
XLogP5.09
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate?
The IUPAC name of benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate (CID 91305489) is benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate is O=C(c1cc(Cc2ccccc2)cc(CN2CCOCC2)c1)C1C(=O)c2ncccc2CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate?
The InChIKey is XYMGGIQJAGCKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3O5/c39-33(30-20-27(18-25-8-3-1-4-9-25)19-28(21-30)22-37-14-16-42-17-15-37)32-34(40)31-29(12-7-13-36-31)23-38(32)35(41)43-24-26-10-5-2-6-11-26/h1-13,19-21,32H,14-18,22-24H2.
What are the key properties of benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate?
benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate has a molecular weight of 575.67 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-[3-benzyl-5-(morpholin-4-ylmethyl)benzoyl]-8-oxo-5,7-dihydro-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 91305489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).