methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

C19H21FN2O4 — CID 42419211

IUPACmethyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
SMILESCOC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(C)CC2
InChIInChI=1S/C19H21FN2O4/c1-21-8-7-15-18(19(24)25-2)16(11-17(23)22(15)10-9-21)26-12-13-3-5-14(20)6-4-13/h3-6,11H,7-10,12H2,1-2H3
InChIKeyYIRQGAGIGGPCAI-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.84
Rot. Bonds4

About methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate

methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (PubChem CID 42419211) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.

Molecular Properties

Compound Namemethyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
PubChem CID42419211
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Namemethyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
SMILESCOC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(C)CC2
InChIInChI=1S/C19H21FN2O4/c1-21-8-7-15-18(19(24)25-2)16(11-17(23)22(15)10-9-21)26-12-13-3-5-14(20)6-4-13/h3-6,11H,7-10,12H2,1-2H3
InChIKeyYIRQGAGIGGPCAI-UHFFFAOYSA-N
XLogP1.84
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The IUPAC name of methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate (CID 42419211) is methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate.
What is the SMILES notation for methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The canonical SMILES for methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is COC(=O)c1c(OCc2ccc(F)cc2)cc(=O)n2c1CCN(C)CC2.
What is the InChIKey of methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
The InChIKey is YIRQGAGIGGPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-21-8-7-15-18(19(24)25-2)16(11-17(23)22(15)10-9-21)26-12-13-3-5-14(20)6-4-13/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate?
methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[(4-fluorophenyl)methoxy]-3-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate is sourced from PubChem (CID 42419211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).