N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide

C25H29N5O2 — CID 167795587

IUPACN-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)c2ncccc2c1
InChIInChI=1S/C25H29N5O2/c1-18-15-20-6-4-9-26-23(20)22(16-18)28-25(32)24(31)27-21-7-3-5-19(17-21)8-10-30-13-11-29(2)12-14-30/h3-7,9,15-17H,8,10-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyNKUCAQJINHBEDM-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.91
Rot. Bonds5

About N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide

N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide (PubChem CID 167795587) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide
PubChem CID167795587
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)c2ncccc2c1
InChIInChI=1S/C25H29N5O2/c1-18-15-20-6-4-9-26-23(20)22(16-18)28-25(32)24(31)27-21-7-3-5-19(17-21)8-10-30-13-11-29(2)12-14-30/h3-7,9,15-17H,8,10-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyNKUCAQJINHBEDM-UHFFFAOYSA-N
XLogP2.91
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113110970
2-(4-methylpiperazin-1-yl)-2-oxo-N-quinolin-8-ylacetamide
CID 108517149
cis-(1S,2R)-N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 97255404
ethane;N-ethenyl-3-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 143242088
N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine
CID 174695439
1-[3-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66677091
N-(6-methylquinolin-8-yl)-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99830523
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
N-(6-methylquinolin-8-yl)-5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxamide
CID 151066777
5-methyl-N-(6-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 147349053
2,6-dimethoxy-N-(6-methylquinolin-8-yl)benzamide
CID 110715570
N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
CID 108520162

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide?
The IUPAC name of N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide (CID 167795587) is N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide.
What is the SMILES notation for N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide?
The canonical SMILES for N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2cccc(CCN3CCN(C)CC3)c2)c2ncccc2c1.
What is the InChIKey of N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide?
The InChIKey is NKUCAQJINHBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-15-20-6-4-9-26-23(20)22(16-18)28-25(32)24(31)27-21-7-3-5-19(17-21)8-10-30-13-11-29(2)12-14-30/h3-7,9,15-17H,8,10-14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide?
N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide has a molecular weight of 431.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-N'-(6-methylquinolin-8-yl)oxamide is sourced from PubChem (CID 167795587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).