N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide

C27H21ClN4O3 — CID 24540351

IUPACN'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide
SMILESCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc21
InChIInChI=1S/C27H21ClN4O3/c1-16(33)32-13-12-18-14-19(8-11-25(18)32)26(34)30-31-27(35)22-15-24(17-6-9-20(28)10-7-17)29-23-5-3-2-4-21(22)23/h2-11,14-15H,12-13H2,1H3,(H,30,34)(H,31,35)
InChIKeyWREHPJCEXKALMT-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.54
Rot. Bonds3

About N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide

N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide (PubChem CID 24540351) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide
PubChem CID24540351
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC NameN'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide
SMILESCC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc21
InChIInChI=1S/C27H21ClN4O3/c1-16(33)32-13-12-18-14-19(8-11-25(18)32)26(34)30-31-27(35)22-15-24(17-6-9-20(28)10-7-17)29-23-5-3-2-4-21(22)23/h2-11,14-15H,12-13H2,1H3,(H,30,34)(H,31,35)
InChIKeyWREHPJCEXKALMT-UHFFFAOYSA-N
XLogP4.54
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 30494390
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide
CID 134011618
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide?
The IUPAC name of N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide (CID 24540351) is N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide.
What is the SMILES notation for N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide?
The canonical SMILES for N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide is CC(=O)N1CCc2cc(C(=O)NNC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc21.
What is the InChIKey of N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide?
The InChIKey is WREHPJCEXKALMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c1-16(33)32-13-12-18-14-19(8-11-25(18)32)26(34)30-31-27(35)22-15-24(17-6-9-20(28)10-7-17)29-23-5-3-2-4-21(22)23/h2-11,14-15H,12-13H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide?
N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide has a molecular weight of 484.94 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 24540351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).