N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide

C25H32N4O2 — CID 175783587

IUPACN-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
SMILESCOc1ccc(-c2cc(NCCCN(C)CCCNC(C)=O)c3ccccc3n2)cc1
InChIInChI=1S/C25H32N4O2/c1-19(30)26-14-6-16-29(2)17-7-15-27-25-18-24(20-10-12-21(31-3)13-11-20)28-23-9-5-4-8-22(23)25/h4-5,8-13,18H,6-7,14-17H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyVHVUEHKNISDQFO-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.17
Rot. Bonds11

About N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide

N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide (PubChem CID 175783587) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
PubChem CID175783587
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
SMILESCOc1ccc(-c2cc(NCCCN(C)CCCNC(C)=O)c3ccccc3n2)cc1
InChIInChI=1S/C25H32N4O2/c1-19(30)26-14-6-16-29(2)17-7-15-27-25-18-24(20-10-12-21(31-3)13-11-20)28-23-9-5-4-8-22(23)25/h4-5,8-13,18H,6-7,14-17H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyVHVUEHKNISDQFO-UHFFFAOYSA-N
XLogP4.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide with MolForge

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Related Compounds

7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
CID 175783539
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]quinoline-4-carboxamide
CID 46480420
bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
CID 157354468
N-[3-[butyl(methyl)amino]propyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4292431
2-[[7-methoxy-2-(4-methoxyphenyl)quinolin-4-yl]amino]ethanol;hydrochloride
CID 18433040
4-(azetidin-3-yl)-3-N-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 172815889
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
CID 10451757
ethyl 4-[[2-(4-bromophenyl)quinolin-4-yl]amino]butanoate
CID 70328105
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide?
The IUPAC name of N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide (CID 175783587) is N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide?
The canonical SMILES for N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide is COc1ccc(-c2cc(NCCCN(C)CCCNC(C)=O)c3ccccc3n2)cc1.
What is the InChIKey of N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide?
The InChIKey is VHVUEHKNISDQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19(30)26-14-6-16-29(2)17-7-15-27-25-18-24(20-10-12-21(31-3)13-11-20)28-23-9-5-4-8-22(23)25/h4-5,8-13,18H,6-7,14-17H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide?
N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 4.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide is sourced from PubChem (CID 175783587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).