N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide

C26H21ClN4O2 — CID 57395009

IUPACN-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(/C=N\NC(=O)c1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H21ClN4O2/c1-33-20-10-11-25-22(12-20)18(16-31(25)15-17-6-8-19(27)9-7-17)13-29-30-26(32)23-14-28-24-5-3-2-4-21(23)24/h2-14,16,28H,15H2,1H3,(H,30,32)/b29-13-
InChIKeyLDXILXWPWZEIGP-DBFSUHOCSA-N
MW456.93 g/mol
LogP5.60
Rot. Bonds6

About N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide (PubChem CID 57395009) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide
PubChem CID57395009
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC NameN-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(/C=N\NC(=O)c1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1
InChIInChI=1S/C26H21ClN4O2/c1-33-20-10-11-25-22(12-20)18(16-31(25)15-17-6-8-19(27)9-7-17)13-29-30-26(32)23-14-28-24-5-3-2-4-21(23)24/h2-14,16,28H,15H2,1H3,(H,30,32)/b29-13-
InChIKeyLDXILXWPWZEIGP-DBFSUHOCSA-N
XLogP5.60
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-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 N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide (CID 57395009) is N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide is COc1ccc2c(c1)c(/C=N\NC(=O)c1c[nH]c3ccccc13)cn2Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is LDXILXWPWZEIGP-DBFSUHOCSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-33-20-10-11-25-22(12-20)18(16-31(25)15-17-6-8-19(27)9-7-17)13-29-30-26(32)23-14-28-24-5-3-2-4-21(23)24/h2-14,16,28H,15H2,1H3,(H,30,32)/b29-13-.
What are the key properties of N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 57395009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).