6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine

C12H10ClN3O — CID 21362743

IUPAC6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine
SMILESCOc1c(Cl)cc2c([nH]c3cnccc32)c1N
InChIInChI=1S/C12H10ClN3O/c1-17-12-8(13)4-7-6-2-3-15-5-9(6)16-11(7)10(12)14/h2-5,16H,14H2,1H3
InChIKeySSJXCZMMXHUVFW-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.96
Rot. Bonds1

About 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine

6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine (PubChem CID 21362743) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine.

Molecular Properties

Compound Name6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine
PubChem CID21362743
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine
SMILESCOc1c(Cl)cc2c([nH]c3cnccc32)c1N
InChIInChI=1S/C12H10ClN3O/c1-17-12-8(13)4-7-6-2-3-15-5-9(6)16-11(7)10(12)14/h2-5,16H,14H2,1H3
InChIKeySSJXCZMMXHUVFW-UHFFFAOYSA-N
XLogP2.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Harmine
CID 5280953
Harmine Hydrochloride
CID 5359389
N-(6-chloro-7-methoxy-9H-beta-carbolin-8-yl)-2-methylnicotinamide
CID 9929127
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
1-chloro-7-methoxy-9H-pyrido[3,4-b]indole
CID 10198544
6,8-Dichloro-7-cyclopropylmethoxy-9H-beta-carboline
CID 21362696
6,8-Dichloro-7-ethoxy-9H-beta-carboline
CID 21362727
6,8-dichloro-7-methoxy-9H-pyrido[3,4-b]indole
CID 21362741
4-(8-Chloro-7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575715
Methylharmine
CID 56638410
9H-Pyrido(3,4-b)indole, 7-methoxy-1-methyl-, hydrochloride, hydrate
CID 5487749
2-(3-chlorophenyl)-6-methoxy-3-pyridin-4-yl-1H-indole
CID 44341138

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine?
The IUPAC name of 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine (CID 21362743) is 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine.
What is the SMILES notation for 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine?
The canonical SMILES for 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine is COc1c(Cl)cc2c([nH]c3cnccc32)c1N.
What is the InChIKey of 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine?
The InChIKey is SSJXCZMMXHUVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-17-12-8(13)4-7-6-2-3-15-5-9(6)16-11(7)10(12)14/h2-5,16H,14H2,1H3.
What are the key properties of 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine?
6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine has a molecular weight of 247.69 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine is sourced from PubChem (CID 21362743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).