(4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone

C20H17FN2O2 — CID 16671110

IUPAC(4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone
SMILESCc1cccc2cc3c(nc12)OCCN(C(=O)c1ccc(F)cc1)C3
InChIInChI=1S/C20H17FN2O2/c1-13-3-2-4-15-11-16-12-23(9-10-25-19(16)22-18(13)15)20(24)14-5-7-17(21)8-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyVWHASDWICXLFFN-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.72
Rot. Bonds1

About (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone

(4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone (PubChem CID 16671110) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone
PubChem CID16671110
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name(4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone
SMILESCc1cccc2cc3c(nc12)OCCN(C(=O)c1ccc(F)cc1)C3
InChIInChI=1S/C20H17FN2O2/c1-13-3-2-4-15-11-16-12-23(9-10-25-19(16)22-18(13)15)20(24)14-5-7-17(21)8-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeyVWHASDWICXLFFN-UHFFFAOYSA-N
XLogP3.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone with MolForge

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Related Compounds

8-methyl-2,3-dihydrofuro[2,3-b]quinoline
CID 603941
[4-(pyridine-3-carbonyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid
CID 135156588
10-methyl-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
CID 92561735
4-[2-(2-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950148
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213066
4-[2-(4-methoxyphenyl)ethyl]-10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinoline
CID 46950146
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(3-fluorophenyl)methanone
CID 110870583
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440211
(3-bromo-4-methylphenyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 79466189
N-[4-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)phenyl]-N-methylprop-2-enamide
CID 166413474
[7-(3-amino-4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[4-(1,1-difluoroethyl)phenyl]methanone
CID 90951235

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone (CID 16671110) is (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone is Cc1cccc2cc3c(nc12)OCCN(C(=O)c1ccc(F)cc1)C3.
What is the InChIKey of (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone?
The InChIKey is VWHASDWICXLFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-13-3-2-4-15-11-16-12-23(9-10-25-19(16)22-18(13)15)20(24)14-5-7-17(21)8-6-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone?
(4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(10-methyl-3,5-dihydro-2H-[1,4]oxazepino[7,6-b]quinolin-4-yl)methanone is sourced from PubChem (CID 16671110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).