(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

C21H26N4O — CID 170439466

IUPAC(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)C1
InChIInChI=1S/C21H26N4O/c1-22-18-11-12-24(16-18)21(26)25-14-13-23(15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)25/h2-10,18,22H,11-16H2,1H3
InChIKeyLTHPRHFYHNJIGU-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.93
Rot. Bonds3

About (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone

(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 170439466) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID170439466
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)C1
InChIInChI=1S/C21H26N4O/c1-22-18-11-12-24(16-18)21(26)25-14-13-23(15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)25/h2-10,18,22H,11-16H2,1H3
InChIKeyLTHPRHFYHNJIGU-UHFFFAOYSA-N
XLogP2.93
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
[3-(4-benzyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropyl]urea
CID 75443696
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(3S)-N-(2-chlorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646373
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
2-amino-1-(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propan-1-one
CID 119891407
3-(4-benzyl-2,3-dihydroquinoxaline-1-carbonyl)-1H-pyridazin-6-one
CID 75437047
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
(3S)-N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
CID 92682483

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 170439466) is (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)N2CCN(Cc3ccccc3)c3ccccc32)C1.
What is the InChIKey of (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is LTHPRHFYHNJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-22-18-11-12-24(16-18)21(26)25-14-13-23(15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)25/h2-10,18,22H,11-16H2,1H3.
What are the key properties of (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
(4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2,3-dihydroquinoxalin-1-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170439466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).