2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile

C22H12FN3O2 — CID 151156115

IUPAC2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile
SMILESN#Cc1cccc2c(OCc3ccc(F)cc3)c3c(nc12)-c1cccn1C3=O
InChIInChI=1S/C22H12FN3O2/c23-15-8-6-13(7-9-15)12-28-21-16-4-1-3-14(11-24)19(16)25-20-17-5-2-10-26(17)22(27)18(20)21/h1-10H,12H2
InChIKeyMZGVPPVUNJYQSV-UHFFFAOYSA-N
MW369.36 g/mol
LogP4.29
Rot. Bonds3

About 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile

2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile (PubChem CID 151156115) has the molecular formula C22H12FN3O2 and a molecular weight of 369.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile
PubChem CID151156115
Molecular FormulaC22H12FN3O2
Molecular Weight369.36 g/mol
Exact Mass369.09
IUPAC Name2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile
SMILESN#Cc1cccc2c(OCc3ccc(F)cc3)c3c(nc12)-c1cccn1C3=O
InChIInChI=1S/C22H12FN3O2/c23-15-8-6-13(7-9-15)12-28-21-16-4-1-3-14(11-24)19(16)25-20-17-5-2-10-26(17)22(27)18(20)21/h1-10H,12H2
InChIKeyMZGVPPVUNJYQSV-UHFFFAOYSA-N
XLogP4.29
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile with MolForge

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Related Compounds

2-[(4-fluorophenyl)methoxy]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762193
2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile
CID 155762095
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
2-[(4-chlorophenyl)methoxy]-6-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 155762024
2-[(4-chlorophenyl)methoxy]-4-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 147882946
2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762283
2-(2,2-dimethylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762043
4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168590066
5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 10446307
6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82273430
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-[[4-(4-fluorobenzoyl)phenyl]methoxy]-3,5-dimethylquinazolin-4-one
CID 18919023

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile (CID 151156115) is 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile is N#Cc1cccc2c(OCc3ccc(F)cc3)c3c(nc12)-c1cccn1C3=O.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile?
The InChIKey is MZGVPPVUNJYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12FN3O2/c23-15-8-6-13(7-9-15)12-28-21-16-4-1-3-14(11-24)19(16)25-20-17-5-2-10-26(17)22(27)18(20)21/h1-10H,12H2.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile?
2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile has a molecular weight of 369.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile is sourced from PubChem (CID 151156115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).