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

C16H11ClN6O3 — CID 137317856

IUPAC7-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
SMILESCc1[nH]nc2c1C1(C(=O)Nc3c(Cl)cccc31)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C16H11ClN6O3/c1-5-8-12(23-22-5)19-11-9(13(24)21-15(26)20-11)16(8)6-3-2-4-7(17)10(6)18-14(16)25/h2-4H,1H3,(H,18,25)(H4,19,20,21,22,23,24,26)
InChIKeySAHDYZZPIMNFBV-UHFFFAOYSA-N
MW370.76 g/mol
LogP1.09
Rot. Bonds

About 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

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 (PubChem CID 137317856) has the molecular formula C16H11ClN6O3 and a molecular weight of 370.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID137317856
Molecular FormulaC16H11ClN6O3
Molecular Weight370.76 g/mol
Exact Mass370.06
IUPAC Name7-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
SMILESCc1[nH]nc2c1C1(C(=O)Nc3c(Cl)cccc31)c1c([nH]c(=O)[nH]c1=O)N2
InChIInChI=1S/C16H11ClN6O3/c1-5-8-12(23-22-5)19-11-9(13(24)21-15(26)20-11)16(8)6-3-2-4-7(17)10(6)18-14(16)25/h2-4H,1H3,(H,18,25)(H4,19,20,21,22,23,24,26)
InChIKeySAHDYZZPIMNFBV-UHFFFAOYSA-N
XLogP1.09
TPSA135.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

7'-amino-7-chloro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 172994895
7'-amino-7-chloro-2,4'-dioxo-2'-sulfanylidenespiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 172994898
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
(8S)-8-(4-chlorophenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 135898236
7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
CID 106702198
8-(3-hydroxyphenyl)-6-methyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 135634419
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
(3S)-7-chlorospiro[1H-indole-3,4'-5,7-dihydro-1H-pyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135898352
6-chloro-3,3-bis(1,2-dimethylindol-3-yl)-7-methyl-1H-indol-2-one
CID 4079978
3-butyl-7-chloro-3-ethyl-1H-indol-2-one
CID 106702217
(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride
CID 23516925
5-(3-chloro-2-methylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 107100331

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]nc2c1C1(C(=O)Nc3c(Cl)cccc31)c1c([nH]c(=O)[nH]c1=O)N2.
What is the InChIKey of 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?
The InChIKey is SAHDYZZPIMNFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O3/c1-5-8-12(23-22-5)19-11-9(13(24)21-15(26)20-11)16(8)6-3-2-4-7(17)10(6)18-14(16)25/h2-4H,1H3,(H,18,25)(H4,19,20,21,22,23,24,26).
What are the key properties of 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?
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 has a molecular weight of 370.76 g/mol, XLogP of 1.09, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137317856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).