4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide

C22H25N5O — CID 113114415

IUPAC4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCN(C)c1ccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H25N5O/c1-25(2)18-8-10-19(11-9-18)26-13-15-27(16-14-26)22(28)24-20-7-3-5-17-6-4-12-23-21(17)20/h3-12H,13-16H2,1-2H3,(H,24,28)
InChIKeyBCCIYUKDXVBRFH-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.65
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide

4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113114415) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113114415
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCN(C)c1ccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H25N5O/c1-25(2)18-8-10-19(11-9-18)26-13-15-27(16-14-26)22(28)24-20-7-3-5-17-6-4-12-23-21(17)20/h3-12H,13-16H2,1-2H3,(H,24,28)
InChIKeyBCCIYUKDXVBRFH-UHFFFAOYSA-N
XLogP3.65
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114157
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide (CID 113114415) is 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide is CN(C)c1ccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is BCCIYUKDXVBRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-25(2)18-8-10-19(11-9-18)26-13-15-27(16-14-26)22(28)24-20-7-3-5-17-6-4-12-23-21(17)20/h3-12H,13-16H2,1-2H3,(H,24,28).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide?
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113114415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).