1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone

C15H17NO2 — CID 46238176

IUPAC1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2ccccc2c1CCCO
InChIInChI=1S/C15H17NO2/c1-10-15(11(2)18)13(7-5-9-17)12-6-3-4-8-14(12)16-10/h3-4,6,8,17H,5,7,9H2,1-2H3
InChIKeyGVDVPYLLCVKJES-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone

1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone (PubChem CID 46238176) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone
PubChem CID46238176
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(C)nc2ccccc2c1CCCO
InChIInChI=1S/C15H17NO2/c1-10-15(11(2)18)13(7-5-9-17)12-6-3-4-8-14(12)16-10/h3-4,6,8,17H,5,7,9H2,1-2H3
InChIKeyGVDVPYLLCVKJES-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-pentylquinoline-3-carboxylate
CID 45141729
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide
CID 118171708
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
1-(2,4-dimethylquinolin-3-yl)-2,2,2-trifluoroethanone
CID 139234339
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
9-(8-acridin-9-yloctyl)acridine
CID 10504492
11-acridin-9-ylundecanoic acid
CID 10737446
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
9-butylacridine
CID 606127
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
N,N,2,4-tetramethylquinoline-3-carboxamide
CID 30331894

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone?
The IUPAC name of 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone (CID 46238176) is 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone is CC(=O)c1c(C)nc2ccccc2c1CCCO.
What is the InChIKey of 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone?
The InChIKey is GVDVPYLLCVKJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-15(11(2)18)13(7-5-9-17)12-6-3-4-8-14(12)16-10/h3-4,6,8,17H,5,7,9H2,1-2H3.
What are the key properties of 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone?
1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxypropyl)-2-methylquinolin-3-yl]ethanone is sourced from PubChem (CID 46238176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).