1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C12H15NO2 — CID 21254818

IUPAC1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(CO)ccc21
InChIInChI=1S/C12H15NO2/c1-9(15)13-6-2-3-11-7-10(8-14)4-5-12(11)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyOHCPTUTUXQPSDH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds1

About 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 21254818) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID21254818
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCCc2cc(CO)ccc21
InChIInChI=1S/C12H15NO2/c1-9(15)13-6-2-3-11-7-10(8-14)4-5-12(11)13/h4-5,7,14H,2-3,6,8H2,1H3
InChIKeyOHCPTUTUXQPSDH-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
1-[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82254868
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
1-[6-(2-bromo-3-methylbutyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82255035
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
1-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-bromobutan-1-one
CID 82136334
1-[6-[2-(propylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262345

Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 21254818) is 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCCc2cc(CO)ccc21.
What is the InChIKey of 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is OHCPTUTUXQPSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(15)13-6-2-3-11-7-10(8-14)4-5-12(11)13/h4-5,7,14H,2-3,6,8H2,1H3.
What are the key properties of 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 21254818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).