N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide

C24H25ClN4O3 — CID 22184984

IUPACN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)nc2ccccc12
InChIInChI=1S/C24H25ClN4O3/c1-16-7-8-17(25)13-21(16)28-9-11-29(12-10-28)23(30)15-26-24(31)20-14-22(32-2)18-5-3-4-6-19(18)27-20/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,31)
InChIKeyBGTHWMYZIUDNCC-UHFFFAOYSA-N
MW452.94 g/mol
LogP3.28
Rot. Bonds5

About N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide

N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide (PubChem CID 22184984) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
PubChem CID22184984
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC NameN-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)nc2ccccc12
InChIInChI=1S/C24H25ClN4O3/c1-16-7-8-17(25)13-21(16)28-9-11-29(12-10-28)23(30)15-26-24(31)20-14-22(32-2)18-5-3-4-6-19(18)27-20/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,31)
InChIKeyBGTHWMYZIUDNCC-UHFFFAOYSA-N
XLogP3.28
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(4-methoxyquinoline-2-carbonyl)amino]acetyl]piperazin-1-yl]acetic acid
CID 22184988
4-methoxy-N-[2-oxo-2-(4-pentanoylpiperazin-1-yl)ethyl]quinoline-2-carboxamide
CID 22184825
4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
CID 22184970
N-[2-[4-(tert-butylcarbamoyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide
CID 22185105
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8839838
2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
CID 22185107
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 26052963
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide (CID 22184984) is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide is COc1cc(C(=O)NCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)nc2ccccc12.
What is the InChIKey of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is BGTHWMYZIUDNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-16-7-8-17(25)13-21(16)28-9-11-29(12-10-28)23(30)15-26-24(31)20-14-22(32-2)18-5-3-4-6-19(18)27-20/h3-8,13-14H,9-12,15H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide?
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 22184984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).