4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide

C21H20N4O2 — CID 39849144

IUPAC4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)c2cnc3ccccc3c2N)cc1
InChIInChI=1S/C21H20N4O2/c1-2-14-7-9-15(10-8-14)11-12-19(26)24-25-21(27)17-13-23-18-6-4-3-5-16(18)20(17)22/h3-13H,2H2,1H3,(H2,22,23)(H,24,26)(H,25,27)/b12-11+
InChIKeyKFSGUOAREKMGHC-VAWYXSNFSA-N
MW360.42 g/mol
LogP2.85
Rot. Bonds4

About 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide

4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide (PubChem CID 39849144) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide
PubChem CID39849144
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)c2cnc3ccccc3c2N)cc1
InChIInChI=1S/C21H20N4O2/c1-2-14-7-9-15(10-8-14)11-12-19(26)24-25-21(27)17-13-23-18-6-4-3-5-16(18)20(17)22/h3-13H,2H2,1H3,(H2,22,23)(H,24,26)(H,25,27)/b12-11+
InChIKeyKFSGUOAREKMGHC-VAWYXSNFSA-N
XLogP2.85
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
4-amino-N'-(2-fluorobenzoyl)quinoline-3-carbohydrazide
CID 39849188
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-iodobenzohydrazide
CID 17227221
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9402292
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(4-ethylphenyl)prop-2-enehydrazide
CID 9376055

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide?
The IUPAC name of 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide (CID 39849144) is 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide.
What is the SMILES notation for 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide?
The canonical SMILES for 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide is CCc1ccc(/C=C/C(=O)NNC(=O)c2cnc3ccccc3c2N)cc1.
What is the InChIKey of 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide?
The InChIKey is KFSGUOAREKMGHC-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-14-7-9-15(10-8-14)11-12-19(26)24-25-21(27)17-13-23-18-6-4-3-5-16(18)20(17)22/h3-13H,2H2,1H3,(H2,22,23)(H,24,26)(H,25,27)/b12-11+.
What are the key properties of 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide?
4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide has a molecular weight of 360.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide is sourced from PubChem (CID 39849144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).