6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one

C17H18N2O2 — CID 164683082

IUPAC6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one
SMILESCc1ccc2c(c1)NCCN(C)C(=O)c1ccccc1O2
InChIInChI=1S/C17H18N2O2/c1-12-7-8-16-14(11-12)18-9-10-19(2)17(20)13-5-3-4-6-15(13)21-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKSGCNSXNYJNDML-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.28
Rot. Bonds

About 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one

6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one (PubChem CID 164683082) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one.

Molecular Properties

Compound Name6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one
PubChem CID164683082
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one
SMILESCc1ccc2c(c1)NCCN(C)C(=O)c1ccccc1O2
InChIInChI=1S/C17H18N2O2/c1-12-7-8-16-14(11-12)18-9-10-19(2)17(20)13-5-3-4-6-15(13)21-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyKSGCNSXNYJNDML-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 46394437
2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
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4,17-dimethyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one
CID 158548363
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CID 90710576
8-methyl-5-propylpyrido[3,2-b][1,4]benzoxazepin-6-one
CID 166830056
5-methyl-1-benzofuran-2,3-dione
CID 56974146
12-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one
CID 170913962
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CID 167805516
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethylbenzo[b][1,4]benzoxazepin-6-one
CID 53037539
2-methyl-3H-1,2-benzoxazin-4-one
CID 68679541

Frequently Asked Questions

What is the IUPAC name of 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one?
The IUPAC name of 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one (CID 164683082) is 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one.
What is the SMILES notation for 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one?
The canonical SMILES for 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one is Cc1ccc2c(c1)NCCN(C)C(=O)c1ccccc1O2.
What is the InChIKey of 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one?
The InChIKey is KSGCNSXNYJNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-7-8-16-14(11-12)18-9-10-19(2)17(20)13-5-3-4-6-15(13)21-16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one?
6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one has a molecular weight of 282.34 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dimethyl-2-oxa-9,12-diazatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaen-13-one is sourced from PubChem (CID 164683082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).