N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine

C19H22N4 — CID 18549017

IUPACN',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C19H22N4/c1-23(2)14-8-13-20-19-18(15-9-4-3-5-10-15)21-16-11-6-7-12-17(16)22-19/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,22)
InChIKeyMIPVZGWQFIKZMS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.66
Rot. Bonds6

About N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine

N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine (PubChem CID 18549017) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
PubChem CID18549017
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C19H22N4/c1-23(2)14-8-13-20-19-18(15-9-4-3-5-10-15)21-16-11-6-7-12-17(16)22-19/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,22)
InChIKeyMIPVZGWQFIKZMS-UHFFFAOYSA-N
XLogP3.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol
CID 23910902
N-(2,3-diphenylpyrido[2,3-b]pyrazin-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11440499
N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 18549055
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N',N'-dimethyl-N-[2-(1H-pyrrol-3-yl)quinazolin-4-yl]propane-1,3-diamine
CID 156820936
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
N-(9-bromo-5-phenylbenzo[h][1,6]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 547300
N-pentyl-3-phenylquinolin-2-amine
CID 68572649
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989
4-[3-(dimethylamino)propylamino]-3H-pyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 170672708
N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 6405736
4-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]quinoxaline-3-carboxylic acid
CID 21426004

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine (CID 18549017) is N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine is CN(C)CCCNc1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine?
The InChIKey is MIPVZGWQFIKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-23(2)14-8-13-20-19-18(15-9-4-3-5-10-15)21-16-11-6-7-12-17(16)22-19/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,22).
What are the key properties of N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 18549017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).