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

C30H28N4O3 — CID 18847099

IUPAC4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C30H28N4O3/c1-19-10-16-26-24(18-19)23(29(32-26)27-17-13-20-6-3-4-8-25(20)31-27)7-5-9-28(35)33-34-30(36)21-11-14-22(37-2)15-12-21/h3-4,6,8,10-18,32H,5,7,9H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyKXLVPGGFOYLMHR-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.48
Rot. Bonds7

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

4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (PubChem CID 18847099) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
PubChem CID18847099
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C30H28N4O3/c1-19-10-16-26-24(18-19)23(29(32-26)27-17-13-20-6-3-4-8-25(20)31-27)7-5-9-28(35)33-34-30(36)21-11-14-22(37-2)15-12-21/h3-4,6,8,10-18,32H,5,7,9H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyKXLVPGGFOYLMHR-UHFFFAOYSA-N
XLogP5.48
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.48
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'}

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Related Compounds

N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18847086
4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenoxyacetyl)butanehydrazide
CID 18847103
N-(4-methoxy-2-nitrophenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847083
N-(4-ethoxyphenyl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847080
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
CID 18847417
4-nitro-N'-[4-(2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide
CID 18846924
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
N-(3-methoxyphenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846841
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 18847440
(2,4-dichlorophenyl) 4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoate
CID 18847123
N-(5-chloro-2-methoxyphenyl)-4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847160

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide (CID 18847099) is 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
The InChIKey is KXLVPGGFOYLMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-19-10-16-26-24(18-19)23(29(32-26)27-17-13-20-6-3-4-8-25(20)31-27)7-5-9-28(35)33-34-30(36)21-11-14-22(37-2)15-12-21/h3-4,6,8,10-18,32H,5,7,9H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide?
4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide has a molecular weight of 492.58 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butanoyl]benzohydrazide is sourced from PubChem (CID 18847099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).