6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one

C15H21FN2O2 — CID 81412914

IUPAC6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)(CO)CNc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H21FN2O2/c1-3-15(2,9-19)8-17-13-7-12-10(6-11(13)16)4-5-14(20)18-12/h6-7,17,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyRXKSAOLBQIJJPX-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.53
Rot. Bonds5

About 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one

6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 81412914) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID81412914
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)(CO)CNc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H21FN2O2/c1-3-15(2,9-19)8-17-13-7-12-10(6-11(13)16)4-5-14(20)18-12/h6-7,17,19H,3-5,8-9H2,1-2H3,(H,18,20)
InChIKeyRXKSAOLBQIJJPX-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 81412914) is 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one is CCC(C)(CO)CNc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RXKSAOLBQIJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-15(2,9-19)8-17-13-7-12-10(6-11(13)16)4-5-14(20)18-12/h6-7,17,19H,3-5,8-9H2,1-2H3,(H,18,20).
What are the key properties of 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 280.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 81412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).