4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide

C30H28N4O3 — CID 18847103

IUPAC4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide
SMILESCc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)COc3ccccc3)c2c1
InChIInChI=1S/C30H28N4O3/c1-20-14-16-26-24(18-20)23(30(32-26)27-17-15-21-8-5-6-12-25(21)31-27)11-7-13-28(35)33-34-29(36)19-37-22-9-3-2-4-10-22/h2-6,8-10,12,14-18,32H,7,11,13,19H2,1H3,(H,33,35)(H,34,36)
InChIKeyIVCHNOVWBPDJGY-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.24
Rot. Bonds8

About 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide

4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide (PubChem CID 18847103) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide.

Molecular Properties

Compound Name4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide
PubChem CID18847103
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide
SMILESCc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)COc3ccccc3)c2c1
InChIInChI=1S/C30H28N4O3/c1-20-14-16-26-24(18-20)23(30(32-26)27-17-15-21-8-5-6-12-25(21)31-27)11-7-13-28(35)33-34-29(36)19-37-22-9-3-2-4-10-22/h2-6,8-10,12,14-18,32H,7,11,13,19H2,1H3,(H,33,35)(H,34,36)
InChIKeyIVCHNOVWBPDJGY-UHFFFAOYSA-N
XLogP5.24
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847086
4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847099
N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 18846980
N-(3-acetylphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847024
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 18847440
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
CID 18847215
N-(4-methoxy-2-nitrophenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847083
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-ethoxyphenyl)butanamide
CID 18847249
(2,4-dichlorophenyl) 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoate
CID 18847123
N-(9-ethylcarbazol-3-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847003
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-propan-2-ylbutanamide
CID 18847197

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide?
The IUPAC name of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide (CID 18847103) is 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide.
What is the SMILES notation for 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide?
The canonical SMILES for 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide is Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)COc3ccccc3)c2c1.
What is the InChIKey of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide?
The InChIKey is IVCHNOVWBPDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-20-14-16-26-24(18-20)23(30(32-26)27-17-15-21-8-5-6-12-25(21)31-27)11-7-13-28(35)33-34-29(36)19-37-22-9-3-2-4-10-22/h2-6,8-10,12,14-18,32H,7,11,13,19H2,1H3,(H,33,35)(H,34,36).
What are the key properties of 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide?
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide has a molecular weight of 492.58 g/mol, XLogP of 5.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide is sourced from PubChem (CID 18847103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).