8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione

C22H18ClNO4 — CID 18803635

IUPAC8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCCCOc2ccc3ccccc3c2)c2c(Cl)cccc12
InChIInChI=1S/C22H18ClNO4/c23-19-9-5-8-18-20(19)24(22(26)28-21(18)25)12-3-4-13-27-17-11-10-15-6-1-2-7-16(15)14-17/h1-2,5-11,14H,3-4,12-13H2
InChIKeyZVDBSLBANHDKKN-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.62
Rot. Bonds6

About 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione

8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione (PubChem CID 18803635) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione
PubChem CID18803635
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione
SMILESO=c1oc(=O)n(CCCCOc2ccc3ccccc3c2)c2c(Cl)cccc12
InChIInChI=1S/C22H18ClNO4/c23-19-9-5-8-18-20(19)24(22(26)28-21(18)25)12-3-4-13-27-17-11-10-15-6-1-2-7-16(15)14-17/h1-2,5-11,14H,3-4,12-13H2
InChIKeyZVDBSLBANHDKKN-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803593
8-chloro-1-[2-(3-methylphenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803591
1-[2-(4-bromophenoxy)ethyl]-8-chloro-3,1-benzoxazine-2,4-dione
CID 18803605
1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803337
1-[4-(3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802299
1-[4-(2,6-dimethylphenoxy)butyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803377
8-chloro-1-(3-methylbutyl)-3,1-benzoxazine-2,4-dione
CID 18803585
1-[4-(4-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802300
6,8-dichloro-1-[2-(4-chlorophenoxy)ethyl]-3,1-benzoxazine-2,4-dione
CID 18803871
6-chloro-1-[4-(4-chloro-3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18803165
8-bromo-1-[4-(2,3-dichlorophenoxy)butyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802724
7-chloro-1-(2-naphthalen-2-yloxyethyl)indole-2,3-dione
CID 18803525

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione (CID 18803635) is 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione is O=c1oc(=O)n(CCCCOc2ccc3ccccc3c2)c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione?
The InChIKey is ZVDBSLBANHDKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c23-19-9-5-8-18-20(19)24(22(26)28-21(18)25)12-3-4-13-27-17-11-10-15-6-1-2-7-16(15)14-17/h1-2,5-11,14H,3-4,12-13H2.
What are the key properties of 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione?
8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione has a molecular weight of 395.84 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4-naphthalen-2-yloxybutyl)-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 18803635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).