15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione

C19H22N2O3 — CID 78156562

IUPAC15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione
SMILESCCC12CCCN3C(=O)C(O)C4c5ccccc5N(C(=O)CC1)C432
InChIInChI=1S/C19H22N2O3/c1-2-18-9-5-11-20-17(24)16(23)15-12-6-3-4-7-13(12)21(19(15,18)20)14(22)8-10-18/h3-4,6-7,15-16,23H,2,5,8-11H2,1H3
InChIKeyIPLKUIIZTYHLIU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.00
Rot. Bonds1

About 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione

15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione (PubChem CID 78156562) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione.

Molecular Properties

Compound Name15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione
PubChem CID78156562
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione
SMILESCCC12CCCN3C(=O)C(O)C4c5ccccc5N(C(=O)CC1)C432
InChIInChI=1S/C19H22N2O3/c1-2-18-9-5-11-20-17(24)16(23)15-12-6-3-4-7-13(12)21(19(15,18)20)14(22)8-10-18/h3-4,6-7,15-16,23H,2,5,8-11H2,1H3
InChIKeyIPLKUIIZTYHLIU-UHFFFAOYSA-N
XLogP2.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8S,15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 72715580
(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 134952791
15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 78155425
(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one
CID 134844769
(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one
CID 132551726
13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one
CID 155807601
(1S,10S,12R,19S)-12-ethyl-19-hydroxy-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6-triene-9,17-dione
CID 139041781
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
(15S,17R,19S)-15-ethyl-17-hydroxy-1,11-diazatetracyclo[9.6.2.02,7.015,19]nonadeca-2,4,6-triene-8,18-dione
CID 44520141
3a-methyl-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline
CID 10655190
(2S,3S,6S)-3-hydroxy-4-methoxy-10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),4,13,15-tetraen-9-one
CID 101497272
(1S,6R,7S,16S,17R,18S,19R)-16,18,19-trihydroxy-6-methyl-5,20-dioxa-3,9-diazapentacyclo[15.2.1.01,9.03,7.010,15]icosa-10,12,14-triene-2,8-dione
CID 102448263

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione?
The IUPAC name of 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione (CID 78156562) is 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione.
What is the SMILES notation for 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione?
The canonical SMILES for 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione is CCC12CCCN3C(=O)C(O)C4c5ccccc5N(C(=O)CC1)C432.
What is the InChIKey of 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione?
The InChIKey is IPLKUIIZTYHLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-18-9-5-11-20-17(24)16(23)15-12-6-3-4-7-13(12)21(19(15,18)20)14(22)8-10-18/h3-4,6-7,15-16,23H,2,5,8-11H2,1H3.
What are the key properties of 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione?
15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione has a molecular weight of 326.40 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione is sourced from PubChem (CID 78156562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).