6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid

C17H25NO3 — CID 135232503

IUPAC6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid
SMILESCC1(C)CCN(CCCCCC(=O)O)c2cccc(O)c21
InChIInChI=1S/C17H25NO3/c1-17(2)10-12-18(11-5-3-4-9-15(20)21)13-7-6-8-14(19)16(13)17/h6-8,19H,3-5,9-12H2,1-2H3,(H,20,21)
InChIKeyDTENYOAIJHWVIA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.52
Rot. Bonds6

About 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid

6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid (PubChem CID 135232503) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid
PubChem CID135232503
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid
SMILESCC1(C)CCN(CCCCCC(=O)O)c2cccc(O)c21
InChIInChI=1S/C17H25NO3/c1-17(2)10-12-18(11-5-3-4-9-15(20)21)13-7-6-8-14(19)16(13)17/h6-8,19H,3-5,9-12H2,1-2H3,(H,20,21)
InChIKeyDTENYOAIJHWVIA-UHFFFAOYSA-N
XLogP3.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(5,5,16,16-tetramethyl-2-oxa-8-aza-23-azoniahexacyclo[12.11.0.03,12.04,9.015,23.017,22]pentacosa-3(12),4(9),10,13,15(23),17,19,21-octaen-8-yl)hexanoic acid
CID 135232467
1-butyl-4,4-dimethyl-2,3-dihydroquinoline
CID 167020051
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benzene-1,3-diol;decanoic acid
CID 175490572
6-(2,3,3-trimethyl-2H-indol-1-yl)hexanoic acid;hydrobromide
CID 146418024
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
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4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
3-(1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-5-yl)propanoic acid
CID 84633049

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid?
The IUPAC name of 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid (CID 135232503) is 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid?
The canonical SMILES for 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid is CC1(C)CCN(CCCCCC(=O)O)c2cccc(O)c21.
What is the InChIKey of 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid?
The InChIKey is DTENYOAIJHWVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2)10-12-18(11-5-3-4-9-15(20)21)13-7-6-8-14(19)16(13)17/h6-8,19H,3-5,9-12H2,1-2H3,(H,20,21).
What are the key properties of 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid?
6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-4,4-dimethyl-2,3-dihydroquinolin-1-yl)hexanoic acid is sourced from PubChem (CID 135232503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).