5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one

C23H17N3O2 — CID 134716469

IUPAC5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one
SMILESCc1ccc2c(c1)C1(C(=O)N2)c2c(n[nH]c2C)Oc2ccc3ccccc3c21
InChIInChI=1S/C23H17N3O2/c1-12-7-9-17-16(11-12)23(22(27)24-17)19-13(2)25-26-21(19)28-18-10-8-14-5-3-4-6-15(14)20(18)23/h3-11H,1-2H3,(H,24,27)(H,25,26)
InChIKeyBYOPTCHJWJWTCY-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.57
Rot. Bonds

About 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one

5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one (PubChem CID 134716469) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one
PubChem CID134716469
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one
SMILESCc1ccc2c(c1)C1(C(=O)N2)c2c(n[nH]c2C)Oc2ccc3ccccc3c21
InChIInChI=1S/C23H17N3O2/c1-12-7-9-17-16(11-12)23(22(27)24-17)19-13(2)25-26-21(19)28-18-10-8-14-5-3-4-6-15(14)20(18)23/h3-11H,1-2H3,(H,24,27)(H,25,26)
InChIKeyBYOPTCHJWJWTCY-UHFFFAOYSA-N
XLogP4.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one with MolForge

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Related Compounds

5-methylspiro[1H-indole-3,13'-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene]-2,11',15'-trione
CID 122374997
(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
CID 3520149
5'-amino-5,18',19'-trimethyl-2-oxospiro[1H-indole-3,3'-6-oxa-15,22-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),4,8,10,12,14,16(21),17,19-decaene]-4'-carbonitrile
CID 102203720
6'-amino-6-bromo-3',5-dimethyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 4266586
(3R)-6'-amino-5-chloro-3'-(4-methylphenyl)-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1006141
2'-amino-5,6'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]quinoline]-3'-carbonitrile
CID 5299353
6-amino-3-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
CID 23475422
1,1,8-trimethylbenzo[e][1]benzofuran-2-one
CID 19858068
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
13-phenylspiro[17-oxa-14,15-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12,15-hexaene-11,3'-1H-indole]-2',8,9-trione
CID 122227207
5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
CID 45275938

Frequently Asked Questions

What is the IUPAC name of 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one?
The IUPAC name of 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one (CID 134716469) is 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one.
What is the SMILES notation for 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one?
The canonical SMILES for 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one is Cc1ccc2c(c1)C1(C(=O)N2)c2c(n[nH]c2C)Oc2ccc3ccccc3c21.
What is the InChIKey of 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one?
The InChIKey is BYOPTCHJWJWTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-12-7-9-17-16(11-12)23(22(27)24-17)19-13(2)25-26-21(19)28-18-10-8-14-5-3-4-6-15(14)20(18)23/h3-11H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one?
5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one has a molecular weight of 367.41 g/mol, XLogP of 4.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5',15-dimethylspiro[11-oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaene-17,3'-1H-indole]-2'-one is sourced from PubChem (CID 134716469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).