5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid

C16H20FNO3 — CID 154740370

IUPAC5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
SMILESO=C(O)c1ccc(F)c2c1CN(CCC1CCCO1)CC2
InChIInChI=1S/C16H20FNO3/c17-15-4-3-13(16(19)20)14-10-18(8-6-12(14)15)7-5-11-2-1-9-21-11/h3-4,11H,1-2,5-10H2,(H,19,20)
InChIKeyHWEVCOJAQGUGDS-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.45
Rot. Bonds4

About 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid

5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid (PubChem CID 154740370) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
PubChem CID154740370
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
SMILESO=C(O)c1ccc(F)c2c1CN(CCC1CCCO1)CC2
InChIInChI=1S/C16H20FNO3/c17-15-4-3-13(16(19)20)14-10-18(8-6-12(14)15)7-5-11-2-1-9-21-11/h3-4,11H,1-2,5-10H2,(H,19,20)
InChIKeyHWEVCOJAQGUGDS-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
4-fluoro-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 22261528
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
N-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 65160866
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
2-fluoro-4-(oxolan-2-ylmethylsulfonylmethyl)benzoic acid
CID 106699009
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
2,5-dimethyl-1-[2-(oxan-2-yl)ethyl]pyrrole-3-carboxylic acid
CID 114135752
1-[2-(oxan-2-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106003570
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid?
The IUPAC name of 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid (CID 154740370) is 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid is O=C(O)c1ccc(F)c2c1CN(CCC1CCCO1)CC2.
What is the InChIKey of 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid?
The InChIKey is HWEVCOJAQGUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-15-4-3-13(16(19)20)14-10-18(8-6-12(14)15)7-5-11-2-1-9-21-11/h3-4,11H,1-2,5-10H2,(H,19,20).
What are the key properties of 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid?
5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid is sourced from PubChem (CID 154740370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).