4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine

C26H41N5 — CID 177002721

IUPAC4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine
SMILESCCCC/C(CCC)=N/c1c(N)nc2cc(CCCN3CCN(C)CC3)ccc2c1C
InChIInChI=1S/C26H41N5/c1-5-7-11-22(9-6-2)28-25-20(3)23-13-12-21(19-24(23)29-26(25)27)10-8-14-31-17-15-30(4)16-18-31/h12-13,19H,5-11,14-18H2,1-4H3,(H2,27,29)/b28-22+
InChIKeySXMUMEURWOWEIE-XAYXJRQQSA-N
MW423.65 g/mol
LogP5.37
Rot. Bonds10

About 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine

4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine (PubChem CID 177002721) has the molecular formula C26H41N5 and a molecular weight of 423.65 g/mol. Its IUPAC name is 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine.

Molecular Properties

Compound Name4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine
PubChem CID177002721
Molecular FormulaC26H41N5
Molecular Weight423.65 g/mol
Exact Mass423.34
IUPAC Name4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine
SMILESCCCC/C(CCC)=N/c1c(N)nc2cc(CCCN3CCN(C)CC3)ccc2c1C
InChIInChI=1S/C26H41N5/c1-5-7-11-22(9-6-2)28-25-20(3)23-13-12-21(19-24(23)29-26(25)27)10-8-14-31-17-15-30(4)16-18-31/h12-13,19H,5-11,14-18H2,1-4H3,(H2,27,29)/b28-22+
InChIKeySXMUMEURWOWEIE-XAYXJRQQSA-N
XLogP5.37
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hexan-2-ylideneamino)-4-methyl-7-[3-[4-[2-(2,4,4-trimethylpentan-2-yloxy)ethyl]piperazin-1-yl]propyl]quinolin-2-amine
CID 177002709
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
7-[3-(4-tert-butylpiperazin-1-yl)propyl]-3-(pentylideneamino)quinolin-2-amine
CID 177002867
2-ethoxy-5-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 82071130
1-methyl-4-[3-(3-methyl-4-propoxyphenyl)propyl]piperazine
CID 170863858
[4-[3-[2-amino-4-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-pentylamino]-3-methylquinolin-7-yl]propyl]piperazin-1-yl]-cyclobutylmethanone;butylcyclobutane;2-methylbutane
CID 177002830
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
4-methyl-N-(4-methylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]aniline
CID 170864082
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 130289691

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine?
The IUPAC name of 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine (CID 177002721) is 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine.
What is the SMILES notation for 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine?
The canonical SMILES for 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine is CCCC/C(CCC)=N/c1c(N)nc2cc(CCCN3CCN(C)CC3)ccc2c1C.
What is the InChIKey of 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine?
The InChIKey is SXMUMEURWOWEIE-XAYXJRQQSA-N. The full InChI is InChI=1S/C26H41N5/c1-5-7-11-22(9-6-2)28-25-20(3)23-13-12-21(19-24(23)29-26(25)27)10-8-14-31-17-15-30(4)16-18-31/h12-13,19H,5-11,14-18H2,1-4H3,(H2,27,29)/b28-22+.
What are the key properties of 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine?
4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine has a molecular weight of 423.65 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[3-(4-methylpiperazin-1-yl)propyl]-3-(octan-4-ylideneamino)quinolin-2-amine is sourced from PubChem (CID 177002721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).