N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide

C28H34N4O2 — CID 108731178

IUPACN-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide
SMILESCc1cc(N2CCN(C(=O)CCCCCNC(=O)c3ccccc3)CC2)nc2c(C)cccc12
InChIInChI=1S/C28H34N4O2/c1-21-10-9-13-24-22(2)20-25(30-27(21)24)31-16-18-32(19-17-31)26(33)14-7-4-8-15-29-28(34)23-11-5-3-6-12-23/h3,5-6,9-13,20H,4,7-8,14-19H2,1-2H3,(H,29,34)
InChIKeyWHZCOPUXJLDPFU-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.49
Rot. Bonds8

About N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide

N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide (PubChem CID 108731178) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide
PubChem CID108731178
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide
SMILESCc1cc(N2CCN(C(=O)CCCCCNC(=O)c3ccccc3)CC2)nc2c(C)cccc12
InChIInChI=1S/C28H34N4O2/c1-21-10-9-13-24-22(2)20-25(30-27(21)24)31-16-18-32(19-17-31)26(33)14-7-4-8-15-29-28(34)23-11-5-3-6-12-23/h3,5-6,9-13,20H,4,7-8,14-19H2,1-2H3,(H,29,34)
InChIKeyWHZCOPUXJLDPFU-UHFFFAOYSA-N
XLogP4.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
1-(3,4-dimethylphenyl)-4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108731269
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-naphthalen-2-yloxybutan-1-one
CID 108754811
4-(2-methylphenoxy)-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765125
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 108731152
4-(2,6-dimethylphenoxy)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108764444
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108731191
4-tert-butyl-N-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 108765041
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide (CID 108731178) is N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide is Cc1cc(N2CCN(C(=O)CCCCCNC(=O)c3ccccc3)CC2)nc2c(C)cccc12.
What is the InChIKey of N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide?
The InChIKey is WHZCOPUXJLDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-21-10-9-13-24-22(2)20-25(30-27(21)24)31-16-18-32(19-17-31)26(33)14-7-4-8-15-29-28(34)23-11-5-3-6-12-23/h3,5-6,9-13,20H,4,7-8,14-19H2,1-2H3,(H,29,34).
What are the key properties of N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide?
N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-6-oxohexyl]benzamide is sourced from PubChem (CID 108731178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).