3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one

C14H10N2O2 — CID 10014421

IUPAC3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
SMILESCC1OC(=O)c2ncc3[nH]c4ccccc4c3c21
InChIInChI=1S/C14H10N2O2/c1-7-11-12-8-4-2-3-5-9(8)16-10(12)6-15-13(11)14(17)18-7/h2-7,16H,1H3
InChIKeyINCRQPXXCBPLIL-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.95
Rot. Bonds

About 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one

3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one (PubChem CID 10014421) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one.

Molecular Properties

Compound Name3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
PubChem CID10014421
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
SMILESCC1OC(=O)c2ncc3[nH]c4ccccc4c3c21
InChIInChI=1S/C14H10N2O2/c1-7-11-12-8-4-2-3-5-9(8)16-10(12)6-15-13(11)14(17)18-7/h2-7,16H,1H3
InChIKeyINCRQPXXCBPLIL-UHFFFAOYSA-N
XLogP2.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The IUPAC name of 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one (CID 10014421) is 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one.
What is the SMILES notation for 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The canonical SMILES for 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one is CC1OC(=O)c2ncc3[nH]c4ccccc4c3c21.
What is the InChIKey of 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The InChIKey is INCRQPXXCBPLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-7-11-12-8-4-2-3-5-9(8)16-10(12)6-15-13(11)14(17)18-7/h2-7,16H,1H3.
What are the key properties of 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one has a molecular weight of 238.25 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one is sourced from PubChem (CID 10014421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).