1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one

C11H13NO3 — CID 135138136

IUPAC1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)N(CO)C(=O)CC2
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-8-3-5-11(14)12(7-13)10(8)6-9/h2,4,6,13H,3,5,7H2,1H3
InChIKeyUPDCJGIVESIQQZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.92
Rot. Bonds2

About 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one

1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 135138136) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
PubChem CID135138136
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)N(CO)C(=O)CC2
InChIInChI=1S/C11H13NO3/c1-15-9-4-2-8-3-5-11(14)12(7-13)10(8)6-9/h2,4,6,13H,3,5,7H2,1H3
InChIKeyUPDCJGIVESIQQZ-UHFFFAOYSA-N
XLogP0.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
CID 153165592
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
2-(8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetonitrile
CID 142193898
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
CID 10645430
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 65326077
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
1-(4-bromobutyl)-6-methoxy-3,4-dihydroquinolin-2-one
CID 67152877
1-(3-methylbut-3-enyl)-7-prop-2-enoxy-3,4-dihydroquinolin-2-one
CID 140970638
2-(7-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetic acid
CID 165350864
7-methoxy-3,4-dihydro-1H-naphthalen-2-one;sulfurous acid
CID 23025244

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one (CID 135138136) is 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one is COc1ccc2c(c1)N(CO)C(=O)CC2.
What is the InChIKey of 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is UPDCJGIVESIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-9-4-2-8-3-5-11(14)12(7-13)10(8)6-9/h2,4,6,13H,3,5,7H2,1H3.
What are the key properties of 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one?
1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 135138136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).