6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione

C20H14ClNO4 — CID 18803121

IUPAC6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCOc2cccc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C20H14ClNO4/c21-14-8-9-17-16(12-14)19(23)26-20(24)22(17)10-11-25-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2
InChIKeyYCCJQFTYSKZLCG-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.84
Rot. Bonds4

About 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione

6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione (PubChem CID 18803121) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione
PubChem CID18803121
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC Name6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCOc2cccc3ccccc23)c2ccc(Cl)cc12
InChIInChI=1S/C20H14ClNO4/c21-14-8-9-17-16(12-14)19(23)26-20(24)22(17)10-11-25-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2
InChIKeyYCCJQFTYSKZLCG-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-naphthalen-1-yloxypropyl)-3,1-benzoxazine-2,4-dione
CID 4005781
1-[3-(2,5-dichlorophenoxy)propyl]-3,1-benzoxazine-2,4-dione
CID 18802292
6-chloro-1-[3-(2,5-dimethylphenoxy)propyl]-3,1-benzoxazine-2,4-dione
CID 18803137
1-butyl-6-chloro-3,1-benzoxazine-2,4-dione
CID 18803118
6-bromo-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18802931
naphthalen-1-yl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 18208366
6-bromo-1-[4-(2,3-dichlorophenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802965
6-chloro-1-(2-methylpropyl)-3,1-benzoxazine-2,4-dione
CID 18803117
6-chloro-1-[4-(4-chloro-3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18803165
6,8-dichloro-1-[2-(2,3-dimethylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803869
5'-chloro-1'-(2-naphthalen-1-yloxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178120
1-[4-(2,3-dimethylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione (CID 18803121) is 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(CCOc2cccc3ccccc23)c2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione?
The InChIKey is YCCJQFTYSKZLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4/c21-14-8-9-17-16(12-14)19(23)26-20(24)22(17)10-11-25-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2.
What are the key properties of 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione?
6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 367.79 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-naphthalen-1-yloxyethyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18803121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).