[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C18H16FNO3 — CID 97053753

IUPAC[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C([C@H]1CCOc2ccccc21)N1CCOc2ccc(F)cc21
InChIInChI=1S/C18H16FNO3/c19-12-5-6-17-15(11-12)20(8-10-23-17)18(21)14-7-9-22-16-4-2-1-3-13(14)16/h1-6,11,14H,7-10H2/t14-/m0/s1
InChIKeyUOJGCYAIUOLJCS-AWEZNQCLSA-N
MW313.33 g/mol
LogP3.12
Rot. Bonds1

About [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 97053753) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID97053753
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C([C@H]1CCOc2ccccc21)N1CCOc2ccc(F)cc21
InChIInChI=1S/C18H16FNO3/c19-12-5-6-17-15(11-12)20(8-10-23-17)18(21)14-7-9-22-16-4-2-1-3-13(14)16/h1-6,11,14H,7-10H2/t14-/m0/s1
InChIKeyUOJGCYAIUOLJCS-AWEZNQCLSA-N
XLogP3.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591
3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110649686
5-(6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyrrolidin-2-one
CID 110742359
(4R)-4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 94023528
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 110639273
[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
CID 134242940
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
(3R)-4-[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]morpholine-3-carbonitrile
CID 97016775
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63762769
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11624297
N-(4-fluoro-2-iodophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79760288
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969

Frequently Asked Questions

What is the IUPAC name of [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 97053753) is [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C([C@H]1CCOc2ccccc21)N1CCOc2ccc(F)cc21.
What is the InChIKey of [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is UOJGCYAIUOLJCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-12-5-6-17-15(11-12)20(8-10-23-17)18(21)14-7-9-22-16-4-2-1-3-13(14)16/h1-6,11,14H,7-10H2/t14-/m0/s1.
What are the key properties of [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 313.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 97053753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).