1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol

C14H23NO — CID 70637382

IUPAC1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol
SMILESCCCCN1CC(O)CC2CC=C(C)C=C21
InChIInChI=1S/C14H23NO/c1-3-4-7-15-10-13(16)9-12-6-5-11(2)8-14(12)15/h5,8,12-13,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyABTRRMXKSILPBO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.70
Rot. Bonds3

About 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol

1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol (PubChem CID 70637382) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol.

Molecular Properties

Compound Name1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol
PubChem CID70637382
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol
SMILESCCCCN1CC(O)CC2CC=C(C)C=C21
InChIInChI=1S/C14H23NO/c1-3-4-7-15-10-13(16)9-12-6-5-11(2)8-14(12)15/h5,8,12-13,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyABTRRMXKSILPBO-UHFFFAOYSA-N
XLogP2.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol?
The IUPAC name of 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol (CID 70637382) is 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol.
What is the SMILES notation for 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol?
The canonical SMILES for 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol is CCCCN1CC(O)CC2CC=C(C)C=C21.
What is the InChIKey of 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol?
The InChIKey is ABTRRMXKSILPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-7-15-10-13(16)9-12-6-5-11(2)8-14(12)15/h5,8,12-13,16H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol?
1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol has a molecular weight of 221.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-methyl-3,4,4a,5-tetrahydro-2H-quinolin-3-ol is sourced from PubChem (CID 70637382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).