2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

C24H28N4 — CID 170156896

IUPAC2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccccn1)CN1CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N4/c1-20(17-25-18-21-9-7-8-14-26-21)19-27-15-16-28(22-10-3-2-4-11-22)24-13-6-5-12-23(24)27/h2-14,20,25H,15-19H2,1H3
InChIKeyRNCKUYIDYCJQJE-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.47
Rot. Bonds7

About 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 170156896) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID170156896
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1ccccn1)CN1CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N4/c1-20(17-25-18-21-9-7-8-14-26-21)19-27-15-16-28(22-10-3-2-4-11-22)24-13-6-5-12-23(24)27/h2-14,20,25H,15-19H2,1H3
InChIKeyRNCKUYIDYCJQJE-UHFFFAOYSA-N
XLogP4.47
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(pyridin-2-ylmethylamino)pentan-2-ol
CID 115644639
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
4-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pentan-1-amine
CID 43205332
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 106483896
2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 71985240
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584771
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
ethane;N-methylpropan-2-imine;2-methyl-N,N,N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 143631475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (CID 170156896) is 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is CC(CNCc1ccccn1)CN1CCN(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is RNCKUYIDYCJQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-20(17-25-18-21-9-7-8-14-26-21)19-27-15-16-28(22-10-3-2-4-11-22)24-13-6-5-12-23(24)27/h2-14,20,25H,15-19H2,1H3.
What are the key properties of 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 372.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phenyl-2,3-dihydroquinoxalin-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 170156896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).