4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

C12H15NO2 — CID 84620544

IUPAC4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C)c2c1NC(=O)CC2CO
InChIInChI=1S/C12H15NO2/c1-7-3-4-8(2)12-11(7)9(6-14)5-10(15)13-12/h3-4,9,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyDOYPJZRRTKSTJB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.72
Rot. Bonds1

About 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84620544) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID84620544
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C)c2c1NC(=O)CC2CO
InChIInChI=1S/C12H15NO2/c1-7-3-4-8(2)12-11(7)9(6-14)5-10(15)13-12/h3-4,9,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyDOYPJZRRTKSTJB-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 84620544) is 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C)c2c1NC(=O)CC2CO.
What is the InChIKey of 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DOYPJZRRTKSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-3-4-8(2)12-11(7)9(6-14)5-10(15)13-12/h3-4,9,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84620544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).