(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C18H15FN2O3 — CID 94023528

IUPAC(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCOc3ccccc32)c2ccc(F)cc2N1
InChIInChI=1S/C18H15FN2O3/c19-11-5-6-12-13(10-17(22)20-14(12)9-11)18(23)21-7-8-24-16-4-2-1-3-15(16)21/h1-6,9,13H,7-8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyUMVLBEYIDKCTBC-CYBMUJFWSA-N
MW326.33 g/mol
LogP2.68
Rot. Bonds1

About (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one

(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 94023528) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID94023528
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCOc3ccccc32)c2ccc(F)cc2N1
InChIInChI=1S/C18H15FN2O3/c19-11-5-6-12-13(10-17(22)20-14(12)9-11)18(23)21-7-8-24-16-4-2-1-3-15(16)21/h1-6,9,13H,7-8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyUMVLBEYIDKCTBC-CYBMUJFWSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 94023528) is (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCOc3ccccc32)c2ccc(F)cc2N1.
What is the InChIKey of (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UMVLBEYIDKCTBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-11-5-6-12-13(10-17(22)20-14(12)9-11)18(23)21-7-8-24-16-4-2-1-3-15(16)21/h1-6,9,13H,7-8,10H2,(H,20,22)/t13-/m1/s1.
What are the key properties of (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 326.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 94023528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).