2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid

C16H19NO3 — CID 176897320

IUPAC2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid
SMILESCCCCC(C(=O)O)c1nc2ccccc2cc1CO
InChIInChI=1S/C16H19NO3/c1-2-3-7-13(16(19)20)15-12(10-18)9-11-6-4-5-8-14(11)17-15/h4-6,8-9,13,18H,2-3,7,10H2,1H3,(H,19,20)
InChIKeyMWHHYDWGFISVTB-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.09
Rot. Bonds6

About 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid

2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid (PubChem CID 176897320) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid
PubChem CID176897320
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid
SMILESCCCCC(C(=O)O)c1nc2ccccc2cc1CO
InChIInChI=1S/C16H19NO3/c1-2-3-7-13(16(19)20)15-12(10-18)9-11-6-4-5-8-14(11)17-15/h4-6,8-9,13,18H,2-3,7,10H2,1H3,(H,19,20)
InChIKeyMWHHYDWGFISVTB-UHFFFAOYSA-N
XLogP3.09
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-quinolin-2-ylhexanoate
CID 116645151
pyrene;2-pyridin-4-ylhexanoic acid
CID 175281888
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
CID 122051472
2-naphthalen-1-yldodecanoic acid
CID 23333439
2-[2-(dicarboxymethyl)quinolin-3-yl]propanedioic acid
CID 174339019
2-[(2-chloroquinolin-3-yl)methylsulfanyl]butanoic acid
CID 105353050
2-[3-(1-carboxyundecyl)anthracen-2-yl]-6,7-dioxododecanoic acid
CID 137441055
acridine;heptane
CID 158562494
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
2-[2-[benzyl(hydroxy)phosphoryl]oxynaphthalen-1-yl]hexanoic acid
CID 57138738
(2-methylsulfanylquinolin-3-yl)methanol
CID 63835189
2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid?
The IUPAC name of 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid (CID 176897320) is 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid is CCCCC(C(=O)O)c1nc2ccccc2cc1CO.
What is the InChIKey of 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid?
The InChIKey is MWHHYDWGFISVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-3-7-13(16(19)20)15-12(10-18)9-11-6-4-5-8-14(11)17-15/h4-6,8-9,13,18H,2-3,7,10H2,1H3,(H,19,20).
What are the key properties of 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid?
2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid has a molecular weight of 273.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)quinolin-2-yl]hexanoic acid is sourced from PubChem (CID 176897320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).