(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide

C26H32N4O3 — CID 59376071

IUPAC(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1ccc2c(c1)/C(=C1\CCCc3c1[nH]c(C)c3C(=O)NCCCN1CCOCC1)C(=O)N2
InChIInChI=1S/C26H32N4O3/c1-16-7-8-21-20(15-16)23(26(32)29-21)19-6-3-5-18-22(17(2)28-24(18)19)25(31)27-9-4-10-30-11-13-33-14-12-30/h7-8,15,28H,3-6,9-14H2,1-2H3,(H,27,31)(H,29,32)/b23-19-
InChIKeyBZYBQEMSZUFQFC-NMWGTECJSA-N
MW448.57 g/mol
LogP3.28
Rot. Bonds5

About (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide

(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376071) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376071
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1ccc2c(c1)/C(=C1\CCCc3c1[nH]c(C)c3C(=O)NCCCN1CCOCC1)C(=O)N2
InChIInChI=1S/C26H32N4O3/c1-16-7-8-21-20(15-16)23(26(32)29-21)19-6-3-5-18-22(17(2)28-24(18)19)25(31)27-9-4-10-30-11-13-33-14-12-30/h7-8,15,28H,3-6,9-14H2,1-2H3,(H,27,31)(H,29,32)/b23-19-
InChIKeyBZYBQEMSZUFQFC-NMWGTECJSA-N
XLogP3.28
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376071) is (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1ccc2c(c1)/C(=C1\CCCc3c1[nH]c(C)c3C(=O)NCCCN1CCOCC1)C(=O)N2.
What is the InChIKey of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is BZYBQEMSZUFQFC-NMWGTECJSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-16-7-8-21-20(15-16)23(26(32)29-21)19-6-3-5-18-22(17(2)28-24(18)19)25(31)27-9-4-10-30-11-13-33-14-12-30/h7-8,15,28H,3-6,9-14H2,1-2H3,(H,27,31)(H,29,32)/b23-19-.
What are the key properties of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).