5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione

C16H10BrN5O4 — CID 136880064

IUPAC5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
SMILESCc1noc2c1C1(C(=O)Nc3ccc(Br)cc31)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C16H10BrN5O4/c1-5-9-13(26-22-5)19-11-10(12(23)21-15(25)20-11)16(9)7-4-6(17)2-3-8(7)18-14(16)24/h2-4H,1H3,(H,18,24)(H3,19,20,21,23,25)
InChIKeyPINOHGFYVYPMHD-UHFFFAOYSA-N
MW416.19 g/mol
LogP1.47
Rot. Bonds

About 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione

5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione (PubChem CID 136880064) has the molecular formula C16H10BrN5O4 and a molecular weight of 416.19 g/mol. Its IUPAC name is 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione.

Molecular Properties

Compound Name5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
PubChem CID136880064
Molecular FormulaC16H10BrN5O4
Molecular Weight416.19 g/mol
Exact Mass414.99
IUPAC Name5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
SMILESCc1noc2c1C1(C(=O)Nc3ccc(Br)cc31)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C16H10BrN5O4/c1-5-9-13(26-22-5)19-11-10(12(23)21-15(25)20-11)16(9)7-4-6(17)2-3-8(7)18-14(16)24/h2-4H,1H3,(H,18,24)(H3,19,20,21,23,25)
InChIKeyPINOHGFYVYPMHD-UHFFFAOYSA-N
XLogP1.47
TPSA132.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.19
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione with MolForge

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Related Compounds

5'-bromo-8,8-dimethylspiro[1,7,9,10-tetrahydropyrimido[4,5-b]quinoline-5,3'-1H-indole]-2,2',4,6-tetrone
CID 102490687
6-bromo-6'-methyl-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 137317895
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
(3S)-6'-methyl-5-nitro-4'-phenylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione
CID 136776900
13'-methyl-5-nitrospiro[1H-indole-3,11'-8,15-dioxa-14,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12(16),13-hexaene]-2,9'-dione
CID 137279413
(3R)-6'-amino-5-bromo-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carbonitrile
CID 1035480
7-chloro-6'-methylspiro[1H-indole-3,8'-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene]-2,10',12'-trione
CID 137317856
(3R)-6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
CID 1035483
(3R)-5-bromo-3'-methyl-1'-phenylspiro[1H-indole-3,4'-6,7,8,9-tetrahydropyrazolo[5,4-b]quinoline]-2,5'-dione
CID 136776877
ethyl 6'-amino-5-bromo-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate
CID 56927379
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2957423
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione?
The IUPAC name of 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione (CID 136880064) is 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione.
What is the SMILES notation for 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione?
The canonical SMILES for 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione is Cc1noc2c1C1(C(=O)Nc3ccc(Br)cc31)c1c([nH]c(=O)[nH]c1=O)N2.
What is the InChIKey of 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione?
The InChIKey is PINOHGFYVYPMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5O4/c1-5-9-13(26-22-5)19-11-10(12(23)21-15(25)20-11)16(9)7-4-6(17)2-3-8(7)18-14(16)24/h2-4H,1H3,(H,18,24)(H3,19,20,21,23,25).
What are the key properties of 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione?
5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione has a molecular weight of 416.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6'-methylspiro[1H-indole-3,8'-4-oxa-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5-triene]-2,10',12'-trione is sourced from PubChem (CID 136880064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).