2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione

C33H20N2O4 — CID 101495320

IUPAC2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione
SMILESCOc1ccc(N2C3=C(C(=O)c4ccccc43)C3(C(=O)Nc4ccccc43)C3=C2c2ccccc2C3=O)cc1
InChIInChI=1S/C33H20N2O4/c1-39-19-16-14-18(15-17-19)35-28-20-8-2-4-10-22(20)30(36)26(28)33(24-12-6-7-13-25(24)34-32(33)38)27-29(35)21-9-3-5-11-23(21)31(27)37/h2-17H,1H3,(H,34,38)
InChIKeyQNSOHYDPXIOVBI-UHFFFAOYSA-N
MW508.53 g/mol
LogP5.62
Rot. Bonds2

About 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione

2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione (PubChem CID 101495320) has the molecular formula C33H20N2O4 and a molecular weight of 508.53 g/mol. Its IUPAC name is 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione.

Molecular Properties

Compound Name2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione
PubChem CID101495320
Molecular FormulaC33H20N2O4
Molecular Weight508.53 g/mol
Exact Mass508.14
IUPAC Name2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione
SMILESCOc1ccc(N2C3=C(C(=O)c4ccccc43)C3(C(=O)Nc4ccccc43)C3=C2c2ccccc2C3=O)cc1
InChIInChI=1S/C33H20N2O4/c1-39-19-16-14-18(15-17-19)35-28-20-8-2-4-10-22(20)30(36)26(28)33(24-12-6-7-13-25(24)34-32(33)38)27-29(35)21-9-3-5-11-23(21)31(27)37/h2-17H,1H3,(H,34,38)
InChIKeyQNSOHYDPXIOVBI-UHFFFAOYSA-N
XLogP5.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione with MolForge

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Related Compounds

(1R,3R,3aR,6aR)-5-(4-methoxyphenyl)-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 162874995
4'-benzoyl-1'-benzyl-2-(4-methoxyphenyl)-5'-phenylspiro[2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-12,3'-pyrrole]-2',10,14-trione
CID 138858450
1'-methyl-2-(4-methylphenyl)spiro[2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-12,3'-indole]-2',10,14-trione
CID 101495322
(1S,3R,3aR,6aR)-1-[(1R)-1-hydroxyethyl]-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 163073678
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
8'-nitrospiro[1H-indole-3,9'-2,6-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),7,12,14,16-pentaene]-2,11'-dione
CID 139238134
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
1'-hydroxy-3'-methoxy-2'-methylspiro[1H-indole-3,9'-fluorene]-2-one
CID 132600722
1-(4-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006508
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160

Frequently Asked Questions

What is the IUPAC name of 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione?
The IUPAC name of 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione (CID 101495320) is 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione.
What is the SMILES notation for 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione?
The canonical SMILES for 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione is COc1ccc(N2C3=C(C(=O)c4ccccc43)C3(C(=O)Nc4ccccc43)C3=C2c2ccccc2C3=O)cc1.
What is the InChIKey of 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione?
The InChIKey is QNSOHYDPXIOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2O4/c1-39-19-16-14-18(15-17-19)35-28-20-8-2-4-10-22(20)30(36)26(28)33(24-12-6-7-13-25(24)34-32(33)38)27-29(35)21-9-3-5-11-23(21)31(27)37/h2-17H,1H3,(H,34,38).
What are the key properties of 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione?
2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione has a molecular weight of 508.53 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione is sourced from PubChem (CID 101495320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).