1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea

C24H29N5O2 — CID 23607891

IUPAC1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCc1ccc2[nH]cc(NC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C24H29N5O2/c1-18-7-8-21-20(15-18)23(30)22(16-26-21)27-24(31)25-9-10-28-11-13-29(14-12-28)17-19-5-3-2-4-6-19/h2-8,15-16H,9-14,17H2,1H3,(H,26,30)(H2,25,27,31)
InChIKeyHWYWWKVEUZDWTN-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.78
Rot. Bonds6

About 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea

1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea (PubChem CID 23607891) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
PubChem CID23607891
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCc1ccc2[nH]cc(NC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C24H29N5O2/c1-18-7-8-21-20(15-18)23(30)22(16-26-21)27-24(31)25-9-10-28-11-13-29(14-12-28)17-19-5-3-2-4-6-19/h2-8,15-16H,9-14,17H2,1H3,(H,26,30)(H2,25,27,31)
InChIKeyHWYWWKVEUZDWTN-UHFFFAOYSA-N
XLogP2.78
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea with MolForge

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Related Compounds

1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 23607887
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
(4-benzylpiperazin-1-yl)-(5-methyl-1H-indol-3-yl)methanone
CID 67585696
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
CID 92715399
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 143148058
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-fluorophenyl)urea
CID 55696768
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
CID 55704765
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-phenylurea
CID 158434164
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892815
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea (CID 23607891) is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea is Cc1ccc2[nH]cc(NC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The InChIKey is HWYWWKVEUZDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-7-8-21-20(15-18)23(30)22(16-26-21)27-24(31)25-9-10-28-11-13-29(14-12-28)17-19-5-3-2-4-6-19/h2-8,15-16H,9-14,17H2,1H3,(H,26,30)(H2,25,27,31).
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea has a molecular weight of 419.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea is sourced from PubChem (CID 23607891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).