1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol

C11H15ClN2O — CID 117235986

IUPAC1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol
SMILESCC(O)CN1CCNc2ccc(Cl)cc21
InChIInChI=1S/C11H15ClN2O/c1-8(15)7-14-5-4-13-10-3-2-9(12)6-11(10)14/h2-3,6,8,13,15H,4-5,7H2,1H3
InChIKeyADUUKMGIIBFZOM-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.95
Rot. Bonds2

About 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol

1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol (PubChem CID 117235986) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol
PubChem CID117235986
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol
SMILESCC(O)CN1CCNc2ccc(Cl)cc21
InChIInChI=1S/C11H15ClN2O/c1-8(15)7-14-5-4-13-10-3-2-9(12)6-11(10)14/h2-3,6,8,13,15H,4-5,7H2,1H3
InChIKeyADUUKMGIIBFZOM-UHFFFAOYSA-N
XLogP1.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
CID 83850094
4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline
CID 115472217
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
CID 83848758
4-(2,2-difluoroethyl)-2,3-dihydro-1H-quinoxaline
CID 60922941
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 105463734

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol?
The IUPAC name of 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol (CID 117235986) is 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol?
The canonical SMILES for 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol is CC(O)CN1CCNc2ccc(Cl)cc21.
What is the InChIKey of 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol?
The InChIKey is ADUUKMGIIBFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(15)7-14-5-4-13-10-3-2-9(12)6-11(10)14/h2-3,6,8,13,15H,4-5,7H2,1H3.
What are the key properties of 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol?
1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol has a molecular weight of 226.71 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)propan-2-ol is sourced from PubChem (CID 117235986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).