N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C21H21N3O — CID 91938175

IUPACN-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cc3ccccc3o2)nc2ccccc12
InChIInChI=1S/C21H21N3O/c1-24(2)12-11-22-18-14-19(23-17-9-5-4-8-16(17)18)21-13-15-7-3-6-10-20(15)25-21/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)
InChIKeyQGFNKGFEXHLAOF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 91938175) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID91938175
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cc3ccccc3o2)nc2ccccc12
InChIInChI=1S/C21H21N3O/c1-24(2)12-11-22-18-14-19(23-17-9-5-4-8-16(17)18)21-13-15-7-3-6-10-20(15)25-21/h3-10,13-14H,11-12H2,1-2H3,(H,22,23)
InChIKeyQGFNKGFEXHLAOF-UHFFFAOYSA-N
XLogP4.62
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)ethane-1,2-diamine;hydrate
CID 51058348
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 3420186
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 45046156
bis(N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)propane-1,3-diamine);dihydrochloride
CID 157354468
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)butane-1,4-diamine
CID 10451757
N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
CID 90395677
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 54196974
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N',N'-diethyl-N-(2-pyridin-2-ylquinolin-4-yl)ethane-1,2-diamine
CID 91938177
N-[2-(1-benzofuran-2-yl)pyrido[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 69071862
N-[2-(1-benzofuran-2-yl)-6-methoxyquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873093
N-[2-(1-benzofuran-2-yl)-7-methylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 24873212

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 91938175) is N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(-c2cc3ccccc3o2)nc2ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QGFNKGFEXHLAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(2)12-11-22-18-14-19(23-17-9-5-4-8-16(17)18)21-13-15-7-3-6-10-20(15)25-21/h3-10,13-14H,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 331.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91938175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).