5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione

C21H12ClN3O3 — CID 137279409

IUPAC5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
SMILESCc1noc2c1C1(C(=O)Nc3ccc(Cl)cc31)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C21H12ClN3O3/c1-9-15-19(28-25-9)24-17-11-4-2-3-5-12(11)18(26)16(17)21(15)13-8-10(22)6-7-14(13)23-20(21)27/h2-8,24H,1H3,(H,23,27)
InChIKeyJWFCVIGWIIJENC-UHFFFAOYSA-N
MW389.80 g/mol
LogP3.91
Rot. Bonds

About 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione

5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione (PubChem CID 137279409) has the molecular formula C21H12ClN3O3 and a molecular weight of 389.80 g/mol. Its IUPAC name is 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione.

Molecular Properties

Compound Name5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
PubChem CID137279409
Molecular FormulaC21H12ClN3O3
Molecular Weight389.80 g/mol
Exact Mass389.06
IUPAC Name5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
SMILESCc1noc2c1C1(C(=O)Nc3ccc(Cl)cc31)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C21H12ClN3O3/c1-9-15-19(28-25-9)24-17-11-4-2-3-5-12(11)18(26)16(17)21(15)13-8-10(22)6-7-14(13)23-20(21)27/h2-8,24H,1H3,(H,23,27)
InChIKeyJWFCVIGWIIJENC-UHFFFAOYSA-N
XLogP3.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
The IUPAC name of 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione (CID 137279409) is 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione.
What is the SMILES notation for 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
The canonical SMILES for 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione is Cc1noc2c1C1(C(=O)Nc3ccc(Cl)cc31)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
The InChIKey is JWFCVIGWIIJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O3/c1-9-15-19(28-25-9)24-17-11-4-2-3-5-12(11)18(26)16(17)21(15)13-8-10(22)6-7-14(13)23-20(21)27/h2-8,24H,1H3,(H,23,27).
What are the key properties of 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione?
5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione has a molecular weight of 389.80 g/mol, XLogP of 3.91, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-12-methylspiro[14-oxa-13,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione is sourced from PubChem (CID 137279409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).