propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate

C29H30N4O4 — CID 71204210

IUPACpropan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
SMILESCC(C)OC(=O)c1cccc2c(C3=C(c4cn(CCCN(C)C)c5ccccc45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C29H30N4O4/c1-17(2)37-29(36)20-11-7-10-19-21(15-30-26(19)20)24-25(28(35)31-27(24)34)22-16-33(14-8-13-32(3)4)23-12-6-5-9-18(22)23/h5-7,9-12,15-17,30H,8,13-14H2,1-4H3,(H,31,34,35)
InChIKeyTZGJCAQRTMPYJO-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.21
Rot. Bonds8

About propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate

propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate (PubChem CID 71204210) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
PubChem CID71204210
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Namepropan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
SMILESCC(C)OC(=O)c1cccc2c(C3=C(c4cn(CCCN(C)C)c5ccccc45)C(=O)NC3=O)c[nH]c12
InChIInChI=1S/C29H30N4O4/c1-17(2)37-29(36)20-11-7-10-19-21(15-30-26(19)20)24-25(28(35)31-27(24)34)22-16-33(14-8-13-32(3)4)23-12-6-5-9-18(22)23/h5-7,9-12,15-17,30H,8,13-14H2,1-4H3,(H,31,34,35)
InChIKeyTZGJCAQRTMPYJO-UHFFFAOYSA-N
XLogP4.21
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate
CID 71502409
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780242
3-[1-[4-(dimethylamino)butyl]indol-3-yl]-4-(6H-thieno[2,3-b]pyrrol-4-yl)pyrrole-2,5-dione
CID 67240694
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-(5,6-dimethoxy-1H-indol-3-yl)-4-[1-[3-(dimethylamino)propyl]-5,6-dimethoxyindol-3-yl]pyrrole-2,5-dione
CID 22410220
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409410
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
The IUPAC name of propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate (CID 71204210) is propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
The canonical SMILES for propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate is CC(C)OC(=O)c1cccc2c(C3=C(c4cn(CCCN(C)C)c5ccccc45)C(=O)NC3=O)c[nH]c12.
What is the InChIKey of propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
The InChIKey is TZGJCAQRTMPYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-17(2)37-29(36)20-11-7-10-19-21(15-30-26(19)20)24-25(28(35)31-27(24)34)22-16-33(14-8-13-32(3)4)23-12-6-5-9-18(22)23/h5-7,9-12,15-17,30H,8,13-14H2,1-4H3,(H,31,34,35).
What are the key properties of propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate?
propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate has a molecular weight of 498.58 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[4-[1-[3-(dimethylamino)propyl]indol-3-yl]-2,5-dioxopyrrol-3-yl]-1H-indole-7-carboxylate is sourced from PubChem (CID 71204210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).