4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide

C22H16ClN3O — CID 11854402

IUPAC4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
SMILESO=C(NNc1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O/c23-17-12-10-16(11-13-17)22(27)26-25-21-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21/h1-14H,(H,24,25)(H,26,27)
InChIKeyACDGDLANEBKEAA-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.31
Rot. Bonds4

About 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide

4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide (PubChem CID 11854402) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
PubChem CID11854402
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
SMILESO=C(NNc1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN3O/c23-17-12-10-16(11-13-17)22(27)26-25-21-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21/h1-14H,(H,24,25)(H,26,27)
InChIKeyACDGDLANEBKEAA-UHFFFAOYSA-N
XLogP5.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.31
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

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
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N'-(4-chlorophenyl)sulfonyl-2-phenylquinoline-4-carbohydrazide
CID 2405730
2-(4-chlorophenyl)-N'-(3,4,5-trimethoxybenzoyl)quinoline-4-carbohydrazide
CID 24540316
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
1-(4-chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 3005269
N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide
CID 70660095
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
N'-(4-nitrobenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 3126530
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide (CID 11854402) is 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide is O=C(NNc1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide?
The InChIKey is ACDGDLANEBKEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-17-12-10-16(11-13-17)22(27)26-25-21-14-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21/h1-14H,(H,24,25)(H,26,27).
What are the key properties of 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide?
4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide has a molecular weight of 373.84 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide is sourced from PubChem (CID 11854402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).