6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol

C16H21N3O — CID 131926984

IUPAC6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol
SMILESCC1(C)CC(O)CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H21N3O/c1-16(2)9-12(20)7-8-19(11-16)15-10-17-13-5-3-4-6-14(13)18-15/h3-6,10,12,20H,7-9,11H2,1-2H3
InChIKeyCTQQTLFTBGWMTC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds1

About 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol

6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol (PubChem CID 131926984) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol
PubChem CID131926984
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol
SMILESCC1(C)CC(O)CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C16H21N3O/c1-16(2)9-12(20)7-8-19(11-16)15-10-17-13-5-3-4-6-14(13)18-15/h3-6,10,12,20H,7-9,11H2,1-2H3
InChIKeyCTQQTLFTBGWMTC-UHFFFAOYSA-N
XLogP2.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol
CID 163307849
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]quinoxaline
CID 70740842
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 162638010

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol?
The IUPAC name of 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol (CID 131926984) is 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol.
What is the SMILES notation for 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol?
The canonical SMILES for 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol is CC1(C)CC(O)CCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol?
The InChIKey is CTQQTLFTBGWMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2)9-12(20)7-8-19(11-16)15-10-17-13-5-3-4-6-14(13)18-15/h3-6,10,12,20H,7-9,11H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol?
6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol has a molecular weight of 271.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-quinoxalin-2-ylazepan-4-ol is sourced from PubChem (CID 131926984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).