1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole

C16H18N2O — CID 151654527

IUPAC1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
SMILESCC(C)OCCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H18N2O/c1-11(2)19-10-8-15-16-13(7-9-17-15)12-5-3-4-6-14(12)18-16/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyQVFBNLDWKOIXGC-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole

1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole (PubChem CID 151654527) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
PubChem CID151654527
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole
SMILESCC(C)OCCc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H18N2O/c1-11(2)19-10-8-15-16-13(7-9-17-15)12-5-3-4-6-14(12)18-16/h3-7,9,11,18H,8,10H2,1-2H3
InChIKeyQVFBNLDWKOIXGC-UHFFFAOYSA-N
XLogP3.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
(2R,3S,4R,6S)-2-methyl-6-[2-(9H-pyrido[3,4-b]indol-1-yl)ethoxy]oxane-3,4-diol
CID 101164488
(2S)-2-hydroxy-3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acid
CID 163185799
1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
CID 5358763
1-(2-piperidin-1-ylethyl)-9H-pyrido[3,4-b]indole
CID 86173275
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175324734
N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
CID 163547256
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
1-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole
CID 175008340
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 53321045

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole (CID 151654527) is 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole is CC(C)OCCc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is QVFBNLDWKOIXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(2)19-10-8-15-16-13(7-9-17-15)12-5-3-4-6-14(12)18-16/h3-7,9,11,18H,8,10H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole?
1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 254.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 151654527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).