2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide

C21H18ClN3O2 — CID 24540320

IUPAC2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
SMILESCC1CC1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H18ClN3O2/c1-12-10-16(12)20(26)24-25-21(27)17-11-19(13-6-8-14(22)9-7-13)23-18-5-3-2-4-15(17)18/h2-9,11-12,16H,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyPBBORFKXJNZCFL-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide

2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide (PubChem CID 24540320) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
PubChem CID24540320
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide
SMILESCC1CC1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H18ClN3O2/c1-12-10-16(12)20(26)24-25-21(27)17-11-19(13-6-8-14(22)9-7-13)23-18-5-3-2-4-15(17)18/h2-9,11-12,16H,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyPBBORFKXJNZCFL-UHFFFAOYSA-N
XLogP3.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]-3-propan-2-ylthiourea
CID 7940652
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
3-[[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-4-methylbenzenesulfonamide
CID 24540352
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
CID 2405730
2-(4-chlorophenyl)-N'-[3-(methylsulfinylmethyl)benzoyl]quinoline-4-carbohydrazide
CID 134011618
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N'-(1-acetyl-2,3-dihydroindole-5-carbonyl)-2-(4-chlorophenyl)quinoline-4-carbohydrazide
CID 24540351

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide (CID 24540320) is 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide is CC1CC1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide?
The InChIKey is PBBORFKXJNZCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-12-10-16(12)20(26)24-25-21(27)17-11-19(13-6-8-14(22)9-7-13)23-18-5-3-2-4-15(17)18/h2-9,11-12,16H,10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide?
2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide has a molecular weight of 379.85 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-(2-methylcyclopropanecarbonyl)quinoline-4-carbohydrazide is sourced from PubChem (CID 24540320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).