4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

C27H34N4O — CID 3410248

IUPAC4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C27H34N4O/c1-4-6-7-21-8-10-22(11-9-21)27(32)28-23-12-13-25-24(19-23)20(3)18-26(29-25)31-16-14-30(5-2)15-17-31/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,28,32)
InChIKeyVERXMSNVBNWROJ-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.28
Rot. Bonds7

About 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (PubChem CID 3410248) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
PubChem CID3410248
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1
InChIInChI=1S/C27H34N4O/c1-4-6-7-21-8-10-22(11-9-21)27(32)28-23-12-13-25-24(19-23)20(3)18-26(29-25)31-16-14-30(5-2)15-17-31/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,28,32)
InChIKeyVERXMSNVBNWROJ-UHFFFAOYSA-N
XLogP5.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bms-833923
CID 57662985
1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
Tzb-30878
CID 11430418
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
Jnk-IN-10
CID 57340688
N-(2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018944
N-(2-(2,7-diazaspiro[4.4]nonan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018957
N-(2-(3-isobutyramidopyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018964
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)benzamide
CID 49850874

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (CID 3410248) is 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is CCCCc1ccc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1.
What is the InChIKey of 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The InChIKey is VERXMSNVBNWROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-4-6-7-21-8-10-22(11-9-21)27(32)28-23-12-13-25-24(19-23)20(3)18-26(29-25)31-16-14-30(5-2)15-17-31/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,28,32).
What are the key properties of 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide has a molecular weight of 430.60 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 3410248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).