1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

C13H17NO3 — CID 106902910

IUPAC1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCC(O)CN1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C13H17NO3/c1-9(15)7-14-8-11(13(16)17)6-10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)
InChIKeyJNSAQOPBCJEQDE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902910) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902910
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCC(O)CN1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C13H17NO3/c1-9(15)7-14-8-11(13(16)17)6-10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3,(H,16,17)
InChIKeyJNSAQOPBCJEQDE-UHFFFAOYSA-N
XLogP1.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63404059
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903104
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
1-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902983
1-[(5-oxopyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 107530439
2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 119958653
1-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 167922860
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903029

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902910) is 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is CC(O)CN1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is JNSAQOPBCJEQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)7-14-8-11(13(16)17)6-10-4-2-3-5-12(10)14/h2-5,9,11,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).