4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide

C25H26ClN5O3 — CID 55792276

IUPAC4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C25H26ClN5O3/c1-30(2)25(34)31-13-11-16(12-14-31)23(32)28-29-24(33)19-15-22(18-8-3-5-9-20(18)26)27-21-10-6-4-7-17(19)21/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyXTQNMDOVQXOWLL-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.71
Rot. Bonds3

About 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 55792276) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID55792276
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1
InChIInChI=1S/C25H26ClN5O3/c1-30(2)25(34)31-13-11-16(12-14-31)23(32)28-29-24(33)19-15-22(18-8-3-5-9-20(18)26)27-21-10-6-4-7-17(19)21/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyXTQNMDOVQXOWLL-UHFFFAOYSA-N
XLogP3.71
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
CID 4500720
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
N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 35781286
2-(2-chlorophenyl)-N'-(pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 26641277
2-(2-chlorophenyl)-N'-(2-chloropyridine-4-carbonyl)quinoline-4-carbohydrazide
CID 46523882
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55646263

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide (CID 55792276) is 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1.
What is the InChIKey of 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is XTQNMDOVQXOWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-30(2)25(34)31-13-11-16(12-14-31)23(32)28-29-24(33)19-15-22(18-8-3-5-9-20(18)26)27-21-10-6-4-7-17(19)21/h3-10,15-16H,11-14H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 55792276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).