(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one

C21H26N2O — CID 11848175

IUPAC(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
SMILESCCN1C(=O)CC[C@@]2(CC)CCCn3ccc(c32)-c2ccccc21
InChIInChI=1S/C21H26N2O/c1-3-21-12-7-14-22-15-11-17(20(21)22)16-8-5-6-9-18(16)23(4-2)19(24)10-13-21/h5-6,8-9,11,15H,3-4,7,10,12-14H2,1-2H3/t21-/m1/s1
InChIKeyCAMLHTSREQMQQX-OAQYLSRUSA-N
MW322.45 g/mol
LogP4.74
Rot. Bonds2

About (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one

(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one (PubChem CID 11848175) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one.

Molecular Properties

Compound Name(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
PubChem CID11848175
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
SMILESCCN1C(=O)CC[C@@]2(CC)CCCn3ccc(c32)-c2ccccc21
InChIInChI=1S/C21H26N2O/c1-3-21-12-7-14-22-15-11-17(20(21)22)16-8-5-6-9-18(16)23(4-2)19(24)10-13-21/h5-6,8-9,11,15H,3-4,7,10,12-14H2,1-2H3/t21-/m1/s1
InChIKeyCAMLHTSREQMQQX-OAQYLSRUSA-N
XLogP4.74
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one with MolForge

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Related Compounds

(12R)-12-ethyl-8-(methoxymethyl)-9-oxo-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-17-carbaldehyde
CID 134833105
1-ethyl-3,4-dihydroquinolin-2-one
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1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
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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
(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
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CID 68585872
1-ethyl-2-methylidene-3,1-benzoxazin-4-one
CID 155236220
1'-ethylspiro[cyclopropane-1,2'-indole]-3'-one
CID 12701939
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
7-amino-1-ethyl-6-methoxy-4,5-dihydro-3H-1-benzazepin-2-one
CID 67264241
(3R)-1-ethyl-2,4-dioxoquinoline-3-carboxylate
CID 7020698

Frequently Asked Questions

What is the IUPAC name of (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
The IUPAC name of (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one (CID 11848175) is (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one.
What is the SMILES notation for (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
The canonical SMILES for (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one is CCN1C(=O)CC[C@@]2(CC)CCCn3ccc(c32)-c2ccccc21.
What is the InChIKey of (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
The InChIKey is CAMLHTSREQMQQX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-21-12-7-14-22-15-11-17(20(21)22)16-8-5-6-9-18(16)23(4-2)19(24)10-13-21/h5-6,8-9,11,15H,3-4,7,10,12-14H2,1-2H3/t21-/m1/s1.
What are the key properties of (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one?
(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one has a molecular weight of 322.45 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one is sourced from PubChem (CID 11848175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).