N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide

C29H26N4O2 — CID 18847086

IUPACN'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
SMILESCc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C29H26N4O2/c1-19-14-16-25-23(18-19)22(28(31-25)26-17-15-20-8-5-6-12-24(20)30-26)11-7-13-27(34)32-33-29(35)21-9-3-2-4-10-21/h2-6,8-10,12,14-18,31H,7,11,13H2,1H3,(H,32,34)(H,33,35)
InChIKeyJWQGKLOKWSYSQQ-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.48
Rot. Bonds6

About N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide

N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (PubChem CID 18847086) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
PubChem CID18847086
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
SMILESCc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C29H26N4O2/c1-19-14-16-25-23(18-19)22(28(31-25)26-17-15-20-8-5-6-12-24(20)30-26)11-7-13-27(34)32-33-29(35)21-9-3-2-4-10-21/h2-6,8-10,12,14-18,31H,7,11,13H2,1H3,(H,32,34)(H,33,35)
InChIKeyJWQGKLOKWSYSQQ-UHFFFAOYSA-N
XLogP5.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847099
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide
CID 18847103
N-(3-acetylphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847024
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 18846980
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 18847440
4-nitro-N'-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18846924
N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N'-phenylbutanehydrazide
CID 18847215
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
N-propan-2-yl-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846860
(2,4-dichlorophenyl) 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoate
CID 18847123

Frequently Asked Questions

What is the IUPAC name of N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The IUPAC name of N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (CID 18847086) is N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.
What is the SMILES notation for N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The canonical SMILES for N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)NNC(=O)c3ccccc3)c2c1.
What is the InChIKey of N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The InChIKey is JWQGKLOKWSYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-19-14-16-25-23(18-19)22(28(31-25)26-17-15-20-8-5-6-12-24(20)30-26)11-7-13-27(34)32-33-29(35)21-9-3-2-4-10-21/h2-6,8-10,12,14-18,31H,7,11,13H2,1H3,(H,32,34)(H,33,35).
What are the key properties of N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide has a molecular weight of 462.55 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 18847086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).