6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

C13H17FN2O2 — CID 62535653

IUPAC6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCC(C)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C13H17FN2O2/c1-8(7-18-2)15-12-6-11-9(5-10(12)14)3-4-13(17)16-11/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXPQNUFBJUMVUGT-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.16
Rot. Bonds4

About 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 62535653) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID62535653
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCC(C)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C13H17FN2O2/c1-8(7-18-2)15-12-6-11-9(5-10(12)14)3-4-13(17)16-11/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyXPQNUFBJUMVUGT-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 62535653) is 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is COCC(C)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XPQNUFBJUMVUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(7-18-2)15-12-6-11-9(5-10(12)14)3-4-13(17)16-11/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 252.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 62535653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).