1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

C20H18FN3O4 — CID 667009

IUPAC1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H18FN3O4/c1-23-11-20(10-12-9-15(28-2)7-8-16(12)23)17(25)22-19(27)24(18(20)26)14-5-3-13(21)4-6-14/h3-9H,10-11H2,1-2H3,(H,22,25,27)
InChIKeyISJYOGGNJNMEMJ-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (PubChem CID 667009) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
PubChem CID667009
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
SMILESCOc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H18FN3O4/c1-23-11-20(10-12-9-15(28-2)7-8-16(12)23)17(25)22-19(27)24(18(20)26)14-5-3-13(21)4-6-14/h3-9H,10-11H2,1-2H3,(H,22,25,27)
InChIKeyISJYOGGNJNMEMJ-UHFFFAOYSA-N
XLogP2.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The IUPAC name of 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione (CID 667009) is 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.
What is the SMILES notation for 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The canonical SMILES for 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
The InChIKey is ISJYOGGNJNMEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-23-11-20(10-12-9-15(28-2)7-8-16(12)23)17(25)22-19(27)24(18(20)26)14-5-3-13(21)4-6-14/h3-9H,10-11H2,1-2H3,(H,22,25,27).
What are the key properties of 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione?
1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione has a molecular weight of 383.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6'-methoxy-1'-methylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione is sourced from PubChem (CID 667009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).