2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C26H28N4O3 — CID 100655590

IUPAC2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1
InChIInChI=1S/C26H28N4O3/c1-17(2)27-24(31)26(33)30-15-13-29(14-16-30)25(32)22-18(3)23(19-9-5-4-6-10-19)28-21-12-8-7-11-20(21)22/h4-12,17H,13-16H2,1-3H3,(H,27,31)
InChIKeyNPMNNGIVQHSFFE-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.02
Rot. Bonds3

About 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 100655590) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID100655590
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1
InChIInChI=1S/C26H28N4O3/c1-17(2)27-24(31)26(33)30-15-13-29(14-16-30)25(32)22-18(3)23(19-9-5-4-6-10-19)28-21-12-8-7-11-20(21)22/h4-12,17H,13-16H2,1-3H3,(H,27,31)
InChIKeyNPMNNGIVQHSFFE-UHFFFAOYSA-N
XLogP3.02
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 51279135
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 2220750
[2-(4-ethylphenyl)-3-methylquinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1261265
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
CID 19715596
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6105008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 100655590) is 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1.
What is the InChIKey of 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is NPMNNGIVQHSFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17(2)27-24(31)26(33)30-15-13-29(14-16-30)25(32)22-18(3)23(19-9-5-4-6-10-19)28-21-12-8-7-11-20(21)22/h4-12,17H,13-16H2,1-3H3,(H,27,31).
What are the key properties of 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 444.54 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 100655590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).