9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one

C11H8ClNO3 — CID 90741201

IUPAC9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one
SMILESO=c1[nH]c2ccc3c(c2cc1Cl)OCCO3
InChIInChI=1S/C11H8ClNO3/c12-7-5-6-8(13-11(7)14)1-2-9-10(6)16-4-3-15-9/h1-2,5H,3-4H2,(H,13,14)
InChIKeyCHDPINIIQWNKJE-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.95
Rot. Bonds

About 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one

9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one (PubChem CID 90741201) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one.

Molecular Properties

Compound Name9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one
PubChem CID90741201
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one
SMILESO=c1[nH]c2ccc3c(c2cc1Cl)OCCO3
InChIInChI=1S/C11H8ClNO3/c12-7-5-6-8(13-11(7)14)1-2-9-10(6)16-4-3-15-9/h1-2,5H,3-4H2,(H,13,14)
InChIKeyCHDPINIIQWNKJE-UHFFFAOYSA-N
XLogP1.95
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54006719
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CID 153438844
6-chloro-5-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 12578815
3,10-dihydro-2H-[1,4]dioxino[2,3-h]quinoxalin-9-one
CID 145260888
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474775
5-chloro-2-oxo-1H-quinoline-3-carboxamide
CID 166443255
7-chloro-3,4-dihydro-2H-1,5-benzodioxepine-6-carbonitrile
CID 117299589
9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
CID 11695086
2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
CID 135167543
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
ethane;9-methyl-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole
CID 145326203

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one?
The IUPAC name of 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one (CID 90741201) is 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one.
What is the SMILES notation for 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one?
The canonical SMILES for 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one is O=c1[nH]c2ccc3c(c2cc1Cl)OCCO3.
What is the InChIKey of 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one?
The InChIKey is CHDPINIIQWNKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-7-5-6-8(13-11(7)14)1-2-9-10(6)16-4-3-15-9/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one?
9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one has a molecular weight of 237.64 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one is sourced from PubChem (CID 90741201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).