1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol

C11H17NO — CID 150112405

IUPAC1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
SMILESCCN1CCCC2C1=CC=CC2O
InChIInChI=1S/C11H17NO/c1-2-12-8-4-5-9-10(12)6-3-7-11(9)13/h3,6-7,9,11,13H,2,4-5,8H2,1H3
InChIKeyDXNOTPDCYZHLPQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.53
Rot. Bonds1

About 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol

1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol (PubChem CID 150112405) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol.

Molecular Properties

Compound Name1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
PubChem CID150112405
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol
SMILESCCN1CCCC2C1=CC=CC2O
InChIInChI=1S/C11H17NO/c1-2-12-8-4-5-9-10(12)6-3-7-11(9)13/h3,6-7,9,11,13H,2,4-5,8H2,1H3
InChIKeyDXNOTPDCYZHLPQ-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-4-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-2-ol
CID 143848007
n-Propyl-6-hydroxy-octahydrobenzo(g)quinoline
CID 129668328
3-(1-Propylpiperidin-3-yl)cyclohexa-2,4-dien-1-ol
CID 54344402
N-hydroxyhexyltetrahydroquinoline
CID 67859558
2-[(3Z)-5-hydroxypenta-1,3-dien-2-yl]-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-1,6-diol
CID 88987189
1-ethyl-5,7,8-trimethyl-3,4,6,7-tetrahydro-2H-quinolin-6-ol
CID 142104909
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)butan-2-ol
CID 152751339
(1-methyl-3,4,4a,5-tetrahydro-2H-quinolin-6-yl)methanol
CID 154386511
7-(Hydroxymethyl)-1-azatricyclo[7.3.1.05,13]trideca-7,9(13)-dien-6-ol
CID 163418325
Cyclohexa-1,5-dien-1-yl-(1-methylpiperidin-4-yl)methanol
CID 173000703
1-[4-(4-Methylpiperidin-1-yl)cyclohexa-2,4-dien-1-yl]ethanol
CID 156797870

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol?
The IUPAC name of 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol (CID 150112405) is 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol.
What is the SMILES notation for 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol?
The canonical SMILES for 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol is CCN1CCCC2C1=CC=CC2O.
What is the InChIKey of 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol?
The InChIKey is DXNOTPDCYZHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-12-8-4-5-9-10(12)6-3-7-11(9)13/h3,6-7,9,11,13H,2,4-5,8H2,1H3.
What are the key properties of 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol?
1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol has a molecular weight of 179.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4,4a,5-tetrahydro-2H-quinolin-5-ol is sourced from PubChem (CID 150112405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).