(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

C17H25N3O — CID 104689965

IUPAC(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cccc2c1NCCN2
InChIInChI=1S/C17H25N3O/c1-2-13-7-4-3-5-12-20(13)17(21)14-8-6-9-15-16(14)19-11-10-18-15/h6,8-9,13,18-19H,2-5,7,10-12H2,1H3
InChIKeyZTNXDGFASKRSTN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.32
Rot. Bonds2

About (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (PubChem CID 104689965) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
PubChem CID104689965
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cccc2c1NCCN2
InChIInChI=1S/C17H25N3O/c1-2-13-7-4-3-5-12-20(13)17(21)14-8-6-9-15-16(14)19-11-10-18-15/h6,8-9,13,18-19H,2-5,7,10-12H2,1H3
InChIKeyZTNXDGFASKRSTN-UHFFFAOYSA-N
XLogP3.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The IUPAC name of (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (CID 104689965) is (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is CCC1CCCCCN1C(=O)c1cccc2c1NCCN2.
What is the InChIKey of (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The InChIKey is ZTNXDGFASKRSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-13-7-4-3-5-12-20(13)17(21)14-8-6-9-15-16(14)19-11-10-18-15/h6,8-9,13,18-19H,2-5,7,10-12H2,1H3.
What are the key properties of (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is sourced from PubChem (CID 104689965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).