2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide

C26H22ClN3O5 — CID 24540316

IUPAC2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C26H22ClN3O5/c1-33-22-12-16(13-23(34-2)24(22)35-3)25(31)29-30-26(32)19-14-21(15-8-10-17(27)11-9-15)28-20-7-5-4-6-18(19)20/h4-14H,1-3H3,(H,29,31)(H,30,32)
InChIKeyFTXUAAQWBLSCGX-UHFFFAOYSA-N
MW491.93 g/mol
LogP4.66
Rot. Bonds6

About 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide

2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide (PubChem CID 24540316) has the molecular formula C26H22ClN3O5 and a molecular weight of 491.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
PubChem CID24540316
Molecular FormulaC26H22ClN3O5
Molecular Weight491.93 g/mol
Exact Mass491.12
IUPAC Name2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C26H22ClN3O5/c1-33-22-12-16(13-23(34-2)24(22)35-3)25(31)29-30-26(32)19-14-21(15-8-10-17(27)11-9-15)28-20-7-5-4-6-18(19)20/h4-14H,1-3H3,(H,29,31)(H,30,32)
InChIKeyFTXUAAQWBLSCGX-UHFFFAOYSA-N
XLogP4.66
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.93
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
CID 24540320
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
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
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide (CID 24540316) is 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide?
The InChIKey is FTXUAAQWBLSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5/c1-33-22-12-16(13-23(34-2)24(22)35-3)25(31)29-30-26(32)19-14-21(15-8-10-17(27)11-9-15)28-20-7-5-4-6-18(19)20/h4-14H,1-3H3,(H,29,31)(H,30,32).
What are the key properties of 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide?
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide has a molecular weight of 491.93 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 24540316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).