15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

C26H19N3O2 — CID 25216919

IUPAC15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cnc2ccccc2c1
InChIInChI=1S/C26H19N3O2/c1-2-16-9-10-22-20(13-16)23-19-7-5-11-27-25(19)31-26(30)24(23)29(22)15-17-12-18-6-3-4-8-21(18)28-14-17/h3-14H,2,15H2,1H3
InChIKeyISPGZGIENDUTOA-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.45
Rot. Bonds3

About 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (PubChem CID 25216919) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.

Molecular Properties

Compound Name15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
PubChem CID25216919
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cnc2ccccc2c1
InChIInChI=1S/C26H19N3O2/c1-2-16-9-10-22-20(13-16)23-19-7-5-11-27-25(19)31-26(30)24(23)29(22)15-17-12-18-6-3-4-8-21(18)28-14-17/h3-14H,2,15H2,1H3
InChIKeyISPGZGIENDUTOA-UHFFFAOYSA-N
XLogP5.45
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one with MolForge

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Related Compounds

15-ethyl-11-[(2-fluoro-3-hydroxyphenyl)methyl]-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 25217037
3-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-4-fluorobenzonitrile
CID 25216913
4-[(15-ethyl-9-oxo-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-11-yl)methyl]-3-fluorobenzamide
CID 25217606
11-[(4-chloroquinolin-3-yl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 58240673
11-[(3-fluoro-2-methylphenyl)methyl]-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 58132314
3-ethylquinoline;quinoline
CID 174966721
2-ethylnaphthalene;3-methylquinoline
CID 143066870
11-[(2-chlorophenyl)methyl]-5,15-dimethyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 58240772
6-ethyl-3-[(6-ethyl-4-hydroxy-2-oxochromen-3-yl)-quinolin-3-ylmethyl]-4-hydroxychromen-2-one
CID 59746720
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
11-[(2Z)-2-[(2-aminophenyl)methylidene]-3-chlorobut-3-enyl]-15-ethyl-14-fluoro-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 89199000
3,6-diethylquinoline
CID 82111628

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The IUPAC name of 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (CID 25216919) is 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.
What is the SMILES notation for 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The canonical SMILES for 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cnc2ccccc2c1.
What is the InChIKey of 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The InChIKey is ISPGZGIENDUTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-2-16-9-10-22-20(13-16)23-19-7-5-11-27-25(19)31-26(30)24(23)29(22)15-17-12-18-6-3-4-8-21(18)28-14-17/h3-14H,2,15H2,1H3.
What are the key properties of 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one has a molecular weight of 405.46 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-11-(quinolin-3-ylmethyl)-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is sourced from PubChem (CID 25216919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).