(7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide

C25H32N4O2 — CID 59376053

IUPAC(7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C25H32N4O2/c1-5-29(6-2)13-12-26-24(30)21-16(4)27-23-17(21)8-7-9-18(23)22-19-14-15(3)10-11-20(19)28-25(22)31/h10-11,14,27H,5-9,12-13H2,1-4H3,(H,26,30)(H,28,31)/b22-18-
InChIKeyQQGKEHCROAPVMW-PYCFMQQDSA-N
MW420.56 g/mol
LogP3.90
Rot. Bonds6

About (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide

(7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376053) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376053
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C25H32N4O2/c1-5-29(6-2)13-12-26-24(30)21-16(4)27-23-17(21)8-7-9-18(23)22-19-14-15(3)10-11-20(19)28-25(22)31/h10-11,14,27H,5-9,12-13H2,1-4H3,(H,26,30)(H,28,31)/b22-18-
InChIKeyQQGKEHCROAPVMW-PYCFMQQDSA-N
XLogP3.90
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376053) is (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(C)cc21.
What is the InChIKey of (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is QQGKEHCROAPVMW-PYCFMQQDSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-29(6-2)13-12-26-24(30)21-16(4)27-23-17(21)8-7-9-18(23)22-19-14-15(3)10-11-20(19)28-25(22)31/h10-11,14,27H,5-9,12-13H2,1-4H3,(H,26,30)(H,28,31)/b22-18-.
What are the key properties of (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-N-[2-(diethylamino)ethyl]-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).