3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol

C12H12Cl2N2O — CID 58475819

IUPAC3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-7(6-17)4-11-12(14)16-9-3-2-8(13)5-10(9)15-11/h2-3,5,7,17H,4,6H2,1H3
InChIKeyICTWWXYDHQLYQB-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.11
Rot. Bonds3

About 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol

3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol (PubChem CID 58475819) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol
PubChem CID58475819
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1nc2cc(Cl)ccc2nc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-7(6-17)4-11-12(14)16-9-3-2-8(13)5-10(9)15-11/h2-3,5,7,17H,4,6H2,1H3
InChIKeyICTWWXYDHQLYQB-UHFFFAOYSA-N
XLogP3.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-chloro-3-methylquinoxalin-2-yl)methanamine
CID 117274858
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
6-chloro-2-N,3-N-bis(2-methylpropyl)quinoxaline-2,3-diamine
CID 139642343
2-(6-chloro-3-phenacylquinoxalin-2-yl)-1-phenylethanone
CID 5064209
4-chloro-2-(3-hydroxy-2-methylpropyl)sulfanylbenzaldehyde
CID 114863755
N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 58475305
3-(2-amino-5-chloro-3-pyridinyl)-2-methylpropan-1-ol
CID 64666699
6-chloro-2-propylquinolin-3-ol
CID 165468222
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
2-(3-chloroquinoxalin-2-yl)ethanol
CID 166994534
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
2-bromo-8-chlorophenazine
CID 119028483

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol (CID 58475819) is 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol is CC(CO)Cc1nc2cc(Cl)ccc2nc1Cl.
What is the InChIKey of 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol?
The InChIKey is ICTWWXYDHQLYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-7(6-17)4-11-12(14)16-9-3-2-8(13)5-10(9)15-11/h2-3,5,7,17H,4,6H2,1H3.
What are the key properties of 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol?
3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol has a molecular weight of 271.15 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dichloroquinoxalin-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 58475819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).