10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

C28H25FN4O4 — CID 17037314

IUPAC10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILESCOc1ccccc1N1CCN2c3c(F)cccc3CC3(C(=O)NC(=O)N(c4ccccc4)C3=O)C2C1
InChIInChI=1S/C28H25FN4O4/c1-37-22-13-6-5-12-21(22)31-14-15-32-23(17-31)28(16-18-8-7-11-20(29)24(18)32)25(34)30-27(36)33(26(28)35)19-9-3-2-4-10-19/h2-13,23H,14-17H2,1H3,(H,30,34,36)
InChIKeyZTDURFYZCUGMHA-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.36
Rot. Bonds3

About 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (PubChem CID 17037314) has the molecular formula C28H25FN4O4 and a molecular weight of 500.53 g/mol. Its IUPAC name is 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
PubChem CID17037314
Molecular FormulaC28H25FN4O4
Molecular Weight500.53 g/mol
Exact Mass500.19
IUPAC Name10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILESCOc1ccccc1N1CCN2c3c(F)cccc3CC3(C(=O)NC(=O)N(c4ccccc4)C3=O)C2C1
InChIInChI=1S/C28H25FN4O4/c1-37-22-13-6-5-12-21(22)31-14-15-32-23(17-31)28(16-18-8-7-11-20(29)24(18)32)25(34)30-27(36)33(26(28)35)19-9-3-2-4-10-19/h2-13,23H,14-17H2,1H3,(H,30,34,36)
InChIKeyZTDURFYZCUGMHA-UHFFFAOYSA-N
XLogP3.36
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione 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 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The IUPAC name of 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CID 17037314) is 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The canonical SMILES for 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is COc1ccccc1N1CCN2c3c(F)cccc3CC3(C(=O)NC(=O)N(c4ccccc4)C3=O)C2C1.
What is the InChIKey of 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The InChIKey is ZTDURFYZCUGMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O4/c1-37-22-13-6-5-12-21(22)31-14-15-32-23(17-31)28(16-18-8-7-11-20(29)24(18)32)25(34)30-27(36)33(26(28)35)19-9-3-2-4-10-19/h2-13,23H,14-17H2,1H3,(H,30,34,36).
What are the key properties of 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione has a molecular weight of 500.53 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-fluoro-3'-(2-methoxyphenyl)-1-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 17037314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).