(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C16H23N3O — CID 63776796

IUPAC(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCCC1(C(=O)N2CCN(C)c3ccccc32)CCNC1
InChIInChI=1S/C16H23N3O/c1-3-16(8-9-17-12-16)15(20)19-11-10-18(2)13-6-4-5-7-14(13)19/h4-7,17H,3,8-12H2,1-2H3
InChIKeyILWWTZLONUUUJB-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.86
Rot. Bonds2

About (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 63776796) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID63776796
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCCC1(C(=O)N2CCN(C)c3ccccc32)CCNC1
InChIInChI=1S/C16H23N3O/c1-3-16(8-9-17-12-16)15(20)19-11-10-18(2)13-6-4-5-7-14(13)19/h4-7,17H,3,8-12H2,1-2H3
InChIKeyILWWTZLONUUUJB-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63138879
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63127785
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107030058
2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone
CID 63128645
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-one
CID 63778411

Frequently Asked Questions

What is the IUPAC name of (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 63776796) is (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CCC1(C(=O)N2CCN(C)c3ccccc32)CCNC1.
What is the InChIKey of (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is ILWWTZLONUUUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(8-9-17-12-16)15(20)19-11-10-18(2)13-6-4-5-7-14(13)19/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 63776796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).