3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride

C14H15ClN2O — CID 77461260

IUPAC3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride
SMILESCC(C)Oc1cc2c(cn1)[nH]c1ccccc12.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14;/h3-9,16H,1-2H3;1H
InChIKeyWSZGRWISZLOJAI-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.93
Rot. Bonds2

About 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride

3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 77461260) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride
PubChem CID77461260
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride
SMILESCC(C)Oc1cc2c(cn1)[nH]c1ccccc12.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14;/h3-9,16H,1-2H3;1H
InChIKeyWSZGRWISZLOJAI-UHFFFAOYSA-N
XLogP3.93
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
CID 129365033
propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 10467488
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole
CID 66668984
triphenyl(9H-pyrido[3,4-b]indol-3-ylmethyl)phosphanium
CID 175029636
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
bromomethane;9H-carbazole
CID 67594562
bis(9H-carbazole);platinum(2+)
CID 175826437

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride (CID 77461260) is 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride is CC(C)Oc1cc2c(cn1)[nH]c1ccccc12.Cl.
What is the InChIKey of 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is WSZGRWISZLOJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c1-9(2)17-14-7-11-10-5-3-4-6-12(10)16-13(11)8-15-14;/h3-9,16H,1-2H3;1H.
What are the key properties of 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride?
3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 77461260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).