[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone

C20H23N3O — CID 166314877

IUPAC[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESNCC1CC(C(=O)N2CCN(c3ccccc3)c3ccccc32)C1
InChIInChI=1S/C20H23N3O/c21-14-15-12-16(13-15)20(24)23-11-10-22(17-6-2-1-3-7-17)18-8-4-5-9-19(18)23/h1-9,15-16H,10-14,21H2
InChIKeyHHYZTJDZHLQGIE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.16
Rot. Bonds3

About [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone

[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 166314877) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID166314877
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESNCC1CC(C(=O)N2CCN(c3ccccc3)c3ccccc32)C1
InChIInChI=1S/C20H23N3O/c21-14-15-12-16(13-15)20(24)23-11-10-22(17-6-2-1-3-7-17)18-8-4-5-9-19(18)23/h1-9,15-16H,10-14,21H2
InChIKeyHHYZTJDZHLQGIE-UHFFFAOYSA-N
XLogP3.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119883802
4-[4-(2,2-dimethyl-4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68795414
4-[4-(4-cyclobutylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 67994368
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
N-(2-adamantyl)-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 143862154
ethane;3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
CID 143768759
cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 110876555
[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-phenylmethanone
CID 22001682
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
CID 166350559
4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68734345

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 166314877) is [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone is NCC1CC(C(=O)N2CCN(c3ccccc3)c3ccccc32)C1.
What is the InChIKey of [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is HHYZTJDZHLQGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-14-15-12-16(13-15)20(24)23-11-10-22(17-6-2-1-3-7-17)18-8-4-5-9-19(18)23/h1-9,15-16H,10-14,21H2.
What are the key properties of [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone?
[3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclobutyl]-(4-phenyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 166314877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).