7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

C18H16FN3O2 — CID 16671056

IUPAC7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCCn1c2cc(C)oc2c2cnn(Cc3ccc(F)cc3)c(=O)c21
InChIInChI=1S/C18H16FN3O2/c1-3-21-15-8-11(2)24-17(15)14-9-20-22(18(23)16(14)21)10-12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3
InChIKeyLPJGLEWQWFGTLK-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.46
Rot. Bonds3

About 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (PubChem CID 16671056) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.

Molecular Properties

Compound Name7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
PubChem CID16671056
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
SMILESCCn1c2cc(C)oc2c2cnn(Cc3ccc(F)cc3)c(=O)c21
InChIInChI=1S/C18H16FN3O2/c1-3-21-15-8-11(2)24-17(15)14-9-20-22(18(23)16(14)21)10-12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3
InChIKeyLPJGLEWQWFGTLK-UHFFFAOYSA-N
XLogP3.46
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The IUPAC name of 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one (CID 16671056) is 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one.
What is the SMILES notation for 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The canonical SMILES for 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is CCn1c2cc(C)oc2c2cnn(Cc3ccc(F)cc3)c(=O)c21.
What is the InChIKey of 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
The InChIKey is LPJGLEWQWFGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-21-15-8-11(2)24-17(15)14-9-20-22(18(23)16(14)21)10-12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one?
7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one has a molecular weight of 325.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one is sourced from PubChem (CID 16671056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).