2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide

C17H21FN2O3 — CID 143751487

IUPAC2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide
SMILESCc1c(F)ccc2c1C(=O)C(CC1CCCO1)C(CC(N)=O)N2
InChIInChI=1S/C17H21FN2O3/c1-9-12(18)4-5-13-16(9)17(22)11(7-10-3-2-6-23-10)14(20-13)8-15(19)21/h4-5,10-11,14,20H,2-3,6-8H2,1H3,(H2,19,21)
InChIKeyWAOMTRYDQVTWIG-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.17
Rot. Bonds4

About 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide

2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide (PubChem CID 143751487) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide
PubChem CID143751487
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide
SMILESCc1c(F)ccc2c1C(=O)C(CC1CCCO1)C(CC(N)=O)N2
InChIInChI=1S/C17H21FN2O3/c1-9-12(18)4-5-13-16(9)17(22)11(7-10-3-2-6-23-10)14(20-13)8-15(19)21/h4-5,10-11,14,20H,2-3,6-8H2,1H3,(H2,19,21)
InChIKeyWAOMTRYDQVTWIG-UHFFFAOYSA-N
XLogP2.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide?
The IUPAC name of 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide (CID 143751487) is 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide.
What is the SMILES notation for 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide?
The canonical SMILES for 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide is Cc1c(F)ccc2c1C(=O)C(CC1CCCO1)C(CC(N)=O)N2.
What is the InChIKey of 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide?
The InChIKey is WAOMTRYDQVTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-9-12(18)4-5-13-16(9)17(22)11(7-10-3-2-6-23-10)14(20-13)8-15(19)21/h4-5,10-11,14,20H,2-3,6-8H2,1H3,(H2,19,21).
What are the key properties of 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide?
2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide has a molecular weight of 320.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-methyl-4-oxo-3-(oxolan-2-ylmethyl)-2,3-dihydro-1H-quinolin-2-yl]acetamide is sourced from PubChem (CID 143751487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).