1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

C15H21NO2 — CID 59090240

IUPAC1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESCC(=O)N1c2cc(C)ccc2C(CO)CC1(C)C
InChIInChI=1S/C15H21NO2/c1-10-5-6-13-12(9-17)8-15(3,4)16(11(2)18)14(13)7-10/h5-7,12,17H,8-9H2,1-4H3
InChIKeyYCRMIXVQPLEGPV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds1

About 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone

1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone (PubChem CID 59090240) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
PubChem CID59090240
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone
SMILESCC(=O)N1c2cc(C)ccc2C(CO)CC1(C)C
InChIInChI=1S/C15H21NO2/c1-10-5-6-13-12(9-17)8-15(3,4)16(11(2)18)14(13)7-10/h5-7,12,17H,8-9H2,1-4H3
InChIKeyYCRMIXVQPLEGPV-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone (CID 59090240) is 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone is CC(=O)N1c2cc(C)ccc2C(CO)CC1(C)C.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
The InChIKey is YCRMIXVQPLEGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-5-6-13-12(9-17)8-15(3,4)16(11(2)18)14(13)7-10/h5-7,12,17H,8-9H2,1-4H3.
What are the key properties of 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone?
1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,2,7-trimethyl-3,4-dihydroquinolin-1-yl]ethanone is sourced from PubChem (CID 59090240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).