7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide

C24H28Cl2N4O3 — CID 66810500

IUPAC7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide
SMILESNC(=O)N1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
InChIInChI=1S/C24H28Cl2N4O3/c25-19-4-3-5-20(23(19)26)29-13-11-28(12-14-29)10-1-2-15-33-18-8-6-17-7-9-22(31)30(24(27)32)21(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H2,27,32)
InChIKeyIACBIAIWKZIDJA-UHFFFAOYSA-N
MW491.42 g/mol
LogP4.33
Rot. Bonds7

About 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide (PubChem CID 66810500) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide.

Molecular Properties

Compound Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide
PubChem CID66810500
Molecular FormulaC24H28Cl2N4O3
Molecular Weight491.42 g/mol
Exact Mass490.15
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide
SMILESNC(=O)N1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21
InChIInChI=1S/C24H28Cl2N4O3/c25-19-4-3-5-20(23(19)26)29-13-11-28(12-14-29)10-1-2-15-33-18-8-6-17-7-9-22(31)30(24(27)32)21(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H2,27,32)
InChIKeyIACBIAIWKZIDJA-UHFFFAOYSA-N
XLogP4.33
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetyloxymethyl 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 56597051
N-benzyl-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide
CID 56596955
2-amino-N-[1-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]-1-oxopropan-2-yl]acetamide
CID 58579100
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-N-(2,4-dimethylpentan-2-yl)-N-methyl-2-oxo-3,4-dihydroquinoline-1-carboxamide
CID 130218518
calcium [7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl] phosphate
CID 56597019
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-N-(2,4-dimethylpentan-2-yl)-2-oxo-3,4-dihydroquinoline-1-carboxamide
CID 130218688
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl 2-aminopropanoate
CID 58096612
3-[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]propanal
CID 176723102
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl] 2-methylbutanoate
CID 164995367
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl methoxysulfanylformate
CID 167181397
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl N-methyl-N-methylphosphanylcarbamate
CID 130432389
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinolin-1-yl]methyl 2-amino-4-methylpentanoate
CID 58096717

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide?
The IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide (CID 66810500) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide.
What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide?
The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide is NC(=O)N1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21.
What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide?
The InChIKey is IACBIAIWKZIDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/c25-19-4-3-5-20(23(19)26)29-13-11-28(12-14-29)10-1-2-15-33-18-8-6-17-7-9-22(31)30(24(27)32)21(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H2,27,32).
What are the key properties of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide?
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide has a molecular weight of 491.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxo-3,4-dihydroquinoline-1-carboxamide is sourced from PubChem (CID 66810500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).