3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol

C17H26N2O2 — CID 129058018

IUPAC3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol
SMILESCOc1ccc2c(c1)NC(O)C(CCCCCC1CC1)N2
InChIInChI=1S/C17H26N2O2/c1-21-13-9-10-14-16(11-13)19-17(20)15(18-14)6-4-2-3-5-12-7-8-12/h9-12,15,17-20H,2-8H2,1H3
InChIKeyIIJORTOTJNCKDX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.58
Rot. Bonds7

About 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol

3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol (PubChem CID 129058018) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol.

Molecular Properties

Compound Name3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol
PubChem CID129058018
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol
SMILESCOc1ccc2c(c1)NC(O)C(CCCCCC1CC1)N2
InChIInChI=1S/C17H26N2O2/c1-21-13-9-10-14-16(11-13)19-17(20)15(18-14)6-4-2-3-5-12-7-8-12/h9-12,15,17-20H,2-8H2,1H3
InChIKeyIIJORTOTJNCKDX-UHFFFAOYSA-N
XLogP3.58
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-[(1R)-2-(cyclopropylmethyl)cyclopropyl]pentyl]-1,2,3,4-tetrahydroquinoxaline-2,7-diol
CID 129058066
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
2-ethynyl-5-methoxyphenol;nonylcyclopropane
CID 87439549
2-[(3-cyclopropylpropylamino)methyl]-5-methoxyphenol
CID 115639474
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
1-(4-butylcyclohexyl)-4-methoxy-2-[5-methoxy-2-(4-pentylcyclohexyl)phenyl]benzene
CID 137402862
1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
4-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)ethyl]cyclohexan-1-amine
CID 101104166
(3R)-3-(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 166462052

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol?
The IUPAC name of 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol (CID 129058018) is 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol.
What is the SMILES notation for 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol?
The canonical SMILES for 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol is COc1ccc2c(c1)NC(O)C(CCCCCC1CC1)N2.
What is the InChIKey of 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol?
The InChIKey is IIJORTOTJNCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-13-9-10-14-16(11-13)19-17(20)15(18-14)6-4-2-3-5-12-7-8-12/h9-12,15,17-20H,2-8H2,1H3.
What are the key properties of 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol?
3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol has a molecular weight of 290.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylpentyl)-7-methoxy-1,2,3,4-tetrahydroquinoxalin-2-ol is sourced from PubChem (CID 129058018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).