1-butan-2-yloxy-9H-pyrido[3,4-b]indole

C15H16N2O — CID 44581815

IUPAC1-butan-2-yloxy-9H-pyrido[3,4-b]indole
SMILESCCC(C)Oc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C15H16N2O/c1-3-10(2)18-15-14-12(8-9-16-15)11-6-4-5-7-13(11)17-14/h4-10,17H,3H2,1-2H3
InChIKeyCLHNYEQYJIKPFT-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.89
Rot. Bonds3

About 1-butan-2-yloxy-9H-pyrido[3,4-b]indole

1-butan-2-yloxy-9H-pyrido[3,4-b]indole (PubChem CID 44581815) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-butan-2-yloxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-butan-2-yloxy-9H-pyrido[3,4-b]indole
PubChem CID44581815
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-butan-2-yloxy-9H-pyrido[3,4-b]indole
SMILESCCC(C)Oc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C15H16N2O/c1-3-10(2)18-15-14-12(8-9-16-15)11-6-4-5-7-13(11)17-14/h4-10,17H,3H2,1-2H3
InChIKeyCLHNYEQYJIKPFT-UHFFFAOYSA-N
XLogP3.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Harmine
CID 5280953
Harmine Hydrochloride
CID 5359389
Dehydrocrenatidine
CID 5318875
Picrasidine I
CID 5324360
6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
(1S)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-YL-[1,7]naphtyridin-5-yloxy)-ehylamine
CID 6914614
7-methoxy-9H-pyrido(3,4-b)indole
CID 9815570
3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
3-Ethoxy-beta-carboline
CID 124477
3-methoxy-9H-pyrido[3,4-b]indole
CID 363113

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-butan-2-yloxy-9H-pyrido[3,4-b]indole (CID 44581815) is 1-butan-2-yloxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-butan-2-yloxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-butan-2-yloxy-9H-pyrido[3,4-b]indole is CCC(C)Oc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-butan-2-yloxy-9H-pyrido[3,4-b]indole?
The InChIKey is CLHNYEQYJIKPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-10(2)18-15-14-12(8-9-16-15)11-6-4-5-7-13(11)17-14/h4-10,17H,3H2,1-2H3.
What are the key properties of 1-butan-2-yloxy-9H-pyrido[3,4-b]indole?
1-butan-2-yloxy-9H-pyrido[3,4-b]indole has a molecular weight of 240.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 44581815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).