18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one

C16H17N3O2 — CID 103964973

IUPAC18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one
SMILESCCN1c2c(cnc3ccccc23)NC(=O)C2COCC21
InChIInChI=1S/C16H17N3O2/c1-2-19-14-9-21-8-11(14)16(20)18-13-7-17-12-6-4-3-5-10(12)15(13)19/h3-7,11,14H,2,8-9H2,1H3,(H,18,20)
InChIKeyYEKMYOAXNNWBRN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.03
Rot. Bonds1

About 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one

18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one (PubChem CID 103964973) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one.

Molecular Properties

Compound Name18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one
PubChem CID103964973
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one
SMILESCCN1c2c(cnc3ccccc23)NC(=O)C2COCC21
InChIInChI=1S/C16H17N3O2/c1-2-19-14-9-21-8-11(14)16(20)18-13-7-17-12-6-4-3-5-10(12)15(13)19/h3-7,11,14H,2,8-9H2,1H3,(H,18,20)
InChIKeyYEKMYOAXNNWBRN-UHFFFAOYSA-N
XLogP2.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one with MolForge

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Related Compounds

1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
CID 103964938
1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 113359527
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
1-(2-methylpropyl)-2,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964959
10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 115510106
2-methyl-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 141425510
1,3-diethyl-4a,5,7,7a-tetrahydrofuro[3,4-d]pyrimidine-2,4-dione
CID 66247469
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
CID 103964991
5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one
CID 103964971
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
2-ethyl-2-methyl-1,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964979
2-ethyl-1,2,3,4-tetrahydropyrazino[2,3-c]quinoline
CID 103965017

Frequently Asked Questions

What is the IUPAC name of 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one?
The IUPAC name of 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one (CID 103964973) is 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one.
What is the SMILES notation for 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one?
The canonical SMILES for 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one is CCN1c2c(cnc3ccccc23)NC(=O)C2COCC21.
What is the InChIKey of 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one?
The InChIKey is YEKMYOAXNNWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19-14-9-21-8-11(14)16(20)18-13-7-17-12-6-4-3-5-10(12)15(13)19/h3-7,11,14H,2,8-9H2,1H3,(H,18,20).
What are the key properties of 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one?
18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one has a molecular weight of 283.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one is sourced from PubChem (CID 103964973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).