1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine

C14H15N3O — CID 115044226

IUPAC1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
SMILESCCc1nc(N)cc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C14H15N3O/c1-3-11-14-10(7-13(15)16-11)9-5-4-8(18-2)6-12(9)17-14/h4-7,17H,3H2,1-2H3,(H2,15,16)
InChIKeySMYMTFSJTJADLA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.87
Rot. Bonds2

About 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine

1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 115044226) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
PubChem CID115044226
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine
SMILESCCc1nc(N)cc2c1[nH]c1cc(OC)ccc12
InChIInChI=1S/C14H15N3O/c1-3-11-14-10(7-13(15)16-11)9-5-4-8(18-2)6-12(9)17-14/h4-7,17H,3H2,1-2H3,(H2,15,16)
InChIKeySMYMTFSJTJADLA-UHFFFAOYSA-N
XLogP2.87
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
CID 135764700
7-methoxy-1,2-dimethyl-9H-carbazol-3-ol
CID 15182253
9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline
CID 158854687
2,3,9-trimethoxy-11H-indolo[3,2-c]quinoline
CID 138726902
2,3-diethyl-10-methoxy-12H-indolo[2,3-a]quinolizin-5-ium
CID 10620094
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594
7-methoxy-2-[6-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)hexyl]-1-methyl-9H-pyrido[3,4-b]indol-2-ium
CID 127046152
2-(diethylamino)-7-methoxy-1H-quinazoline-4-thione
CID 154252501
1-ethyl-7-methoxyisoquinoline
CID 119092688
7-methoxy-2-methyl-1H-quinazoline-4-thione
CID 3715299
8-methoxy-6H-indolo[2,3-b]quinoline
CID 102364479

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine (CID 115044226) is 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine is CCc1nc(N)cc2c1[nH]c1cc(OC)ccc12.
What is the InChIKey of 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is SMYMTFSJTJADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-11-14-10(7-13(15)16-11)9-5-4-8(18-2)6-12(9)17-14/h4-7,17H,3H2,1-2H3,(H2,15,16).
What are the key properties of 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine?
1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 241.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115044226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).