(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione

C23H18N4O3 — CID 59224789

IUPAC(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione
SMILESO=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)Nc2c1c(=O)n(O)c1ncccc21
InChIInChI=1S/C23H18N4O3/c28-22-17-20(16-12-7-13-24-21(16)27(30)23(17)29)25-18(14-8-3-1-4-9-14)19(26-22)15-10-5-2-6-11-15/h1-13,18-19,25,30H,(H,26,28)/t18-,19+/m0/s1
InChIKeyNJNGONMOHPGOHR-RBUKOAKNSA-N
MW398.42 g/mol
LogP3.27
Rot. Bonds2

About (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione

(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione (PubChem CID 59224789) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione.

Molecular Properties

Compound Name(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione
PubChem CID59224789
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione
SMILESO=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)Nc2c1c(=O)n(O)c1ncccc21
InChIInChI=1S/C23H18N4O3/c28-22-17-20(16-12-7-13-24-21(16)27(30)23(17)29)25-18(14-8-3-1-4-9-14)19(26-22)15-10-5-2-6-11-15/h1-13,18-19,25,30H,(H,26,28)/t18-,19+/m0/s1
InChIKeyNJNGONMOHPGOHR-RBUKOAKNSA-N
XLogP3.27
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione 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 (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione?
The IUPAC name of (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione (CID 59224789) is (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione.
What is the SMILES notation for (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione?
The canonical SMILES for (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione is O=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)Nc2c1c(=O)n(O)c1ncccc21.
What is the InChIKey of (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione?
The InChIKey is NJNGONMOHPGOHR-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-22-17-20(16-12-7-13-24-21(16)27(30)23(17)29)25-18(14-8-3-1-4-9-14)19(26-22)15-10-5-2-6-11-15/h1-13,18-19,25,30H,(H,26,28)/t18-,19+/m0/s1.
What are the key properties of (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione?
(2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione has a molecular weight of 398.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-7-hydroxy-2,3-diphenyl-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c][1,8]naphthyridine-5,6-dione is sourced from PubChem (CID 59224789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).