7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde

C13H13ClN2O2 — CID 84742786

IUPAC7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
SMILESCOc1cc2c(C=O)c3n(c2cc1Cl)CCNC3
InChIInChI=1S/C13H13ClN2O2/c1-18-13-4-8-9(7-17)12-6-15-2-3-16(12)11(8)5-10(13)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyYEVIXYVUKCZYJG-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.22
Rot. Bonds2

About 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde

7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde (PubChem CID 84742786) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde.

Molecular Properties

Compound Name7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
PubChem CID84742786
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
SMILESCOc1cc2c(C=O)c3n(c2cc1Cl)CCNC3
InChIInChI=1S/C13H13ClN2O2/c1-18-13-4-8-9(7-17)12-6-15-2-3-16(12)11(8)5-10(13)14/h4-5,7,15H,2-3,6H2,1H3
InChIKeyYEVIXYVUKCZYJG-UHFFFAOYSA-N
XLogP2.22
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde 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

6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 82397497
3-(2,5-dichloro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103342097
9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 96594157
6-methoxy-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638105
8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 96598907
(2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one
CID 68855224
10-chloro-8-fluoro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84624659
7-fluoro-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84620202
N-(3-chloro-4-methoxyphenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
CID 10222482
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
CID 98035174
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969956

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The IUPAC name of 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde (CID 84742786) is 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde.
What is the SMILES notation for 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The canonical SMILES for 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde is COc1cc2c(C=O)c3n(c2cc1Cl)CCNC3.
What is the InChIKey of 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
The InChIKey is YEVIXYVUKCZYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-13-4-8-9(7-17)12-6-15-2-3-16(12)11(8)5-10(13)14/h4-5,7,15H,2-3,6H2,1H3.
What are the key properties of 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde?
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde has a molecular weight of 264.71 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde is sourced from PubChem (CID 84742786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).