2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid

C15H19NO2 — CID 175552814

IUPAC2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid
SMILESO=C(O)CC1=CC=C2C=C3NCCCC3CC2C1
InChIInChI=1S/C15H19NO2/c17-15(18)7-10-3-4-11-9-14-12(2-1-5-16-14)8-13(11)6-10/h3-4,9,12-13,16H,1-2,5-8H2,(H,17,18)
InChIKeyRGAUEGNJALJOIH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.62
Rot. Bonds2

About 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid

2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid (PubChem CID 175552814) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid
PubChem CID175552814
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid
SMILESO=C(O)CC1=CC=C2C=C3NCCCC3CC2C1
InChIInChI=1S/C15H19NO2/c17-15(18)7-10-3-4-11-9-14-12(2-1-5-16-14)8-13(11)6-10/h3-4,9,12-13,16H,1-2,5-8H2,(H,17,18)
InChIKeyRGAUEGNJALJOIH-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline
CID 67937887
methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate
CID 135144533
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-(2-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 136995563
2-[4-(2-oxoazepan-3-yl)sulfonylphenyl]acetic acid
CID 43440425
2-(4-cyclobutyl-1H-pyrazol-5-yl)acetic acid
CID 105422745
2-(4-trimethylsilyloxycyclopenten-1-yl)acetic acid
CID 70459172
2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
CID 105423374
2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
CID 105497676
2-[2-(3-oxocyclohexyl)phenyl]acetic acid
CID 115038843
2-(2-bromo-6-cyclobutylpyrimidin-4-yl)acetic acid
CID 83852901
2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115026773

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid?
The IUPAC name of 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid (CID 175552814) is 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid.
What is the SMILES notation for 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid?
The canonical SMILES for 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid is O=C(O)CC1=CC=C2C=C3NCCCC3CC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid?
The InChIKey is RGAUEGNJALJOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)7-10-3-4-11-9-14-12(2-1-5-16-14)8-13(11)6-10/h3-4,9,12-13,16H,1-2,5-8H2,(H,17,18).
What are the key properties of 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid?
2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid is sourced from PubChem (CID 175552814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).