N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

C26H21ClN4O3 — CID 35781286

IUPACN-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C26H21ClN4O3/c1-16(28-25(33)17-9-3-2-4-10-17)24(32)30-31-26(34)20-15-23(19-12-5-7-13-21(19)27)29-22-14-8-6-11-18(20)22/h2-16H,1H3,(H,28,33)(H,30,32)(H,31,34)/t16-/m0/s1
InChIKeyLLDCSIGMOXEBIK-INIZCTEOSA-N
MW472.93 g/mol
LogP4.13
Rot. Bonds5

About N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide

N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 35781286) has the molecular formula C26H21ClN4O3 and a molecular weight of 472.93 g/mol. Its IUPAC name is N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID35781286
Molecular FormulaC26H21ClN4O3
Molecular Weight472.93 g/mol
Exact Mass472.13
IUPAC NameN-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C26H21ClN4O3/c1-16(28-25(33)17-9-3-2-4-10-17)24(32)30-31-26(34)20-15-23(19-12-5-7-13-21(19)27)29-22-14-8-6-11-18(20)22/h2-16H,1H3,(H,28,33)(H,30,32)(H,31,34)/t16-/m0/s1
InChIKeyLLDCSIGMOXEBIK-INIZCTEOSA-N
XLogP4.13
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N'-(pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 26641277
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
CID 4500720
N-[1-[2-[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24644519
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-chlorophenyl)-N'-(furan-3-carbonyl)quinoline-4-carbohydrazide
CID 27020677
2-(2-chlorophenyl)-N'-(2-chloropyridine-4-carbonyl)quinoline-4-carbohydrazide
CID 46523882
(E)-N-[1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylethenesulfonamide
CID 6218991
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
2-(2-chlorophenyl)-N-[(3S)-3-[(R)-methylsulfinyl]butyl]quinoline-4-carboxamide
CID 97086947
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55792276

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 35781286) is N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is LLDCSIGMOXEBIK-INIZCTEOSA-N. The full InChI is InChI=1S/C26H21ClN4O3/c1-16(28-25(33)17-9-3-2-4-10-17)24(32)30-31-26(34)20-15-23(19-12-5-7-13-21(19)27)29-22-14-8-6-11-18(20)22/h2-16H,1H3,(H,28,33)(H,30,32)(H,31,34)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 472.93 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 35781286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).