7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

C14H11ClN2O3 — CID 71031901

IUPAC7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESCC1OC(c2c[nH]c3c(=O)[nH]c4cc(Cl)ccc4c23)O1
InChIInChI=1S/C14H11ClN2O3/c1-6-19-14(20-6)9-5-16-12-11(9)8-3-2-7(15)4-10(8)17-13(12)18/h2-6,14,16H,1H3,(H,17,18)
InChIKeyQBTHCWPPIJGGHX-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.05
Rot. Bonds1

About 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (PubChem CID 71031901) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
PubChem CID71031901
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESCC1OC(c2c[nH]c3c(=O)[nH]c4cc(Cl)ccc4c23)O1
InChIInChI=1S/C14H11ClN2O3/c1-6-19-14(20-6)9-5-16-12-11(9)8-3-2-7(15)4-10(8)17-13(12)18/h2-6,14,16H,1H3,(H,17,18)
InChIKeyQBTHCWPPIJGGHX-UHFFFAOYSA-N
XLogP3.05
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The IUPAC name of 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (CID 71031901) is 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The canonical SMILES for 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is CC1OC(c2c[nH]c3c(=O)[nH]c4cc(Cl)ccc4c23)O1.
What is the InChIKey of 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The InChIKey is QBTHCWPPIJGGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-6-19-14(20-6)9-5-16-12-11(9)8-3-2-7(15)4-10(8)17-13(12)18/h2-6,14,16H,1H3,(H,17,18).
What are the key properties of 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one has a molecular weight of 290.71 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methyl-1,3-dioxetan-2-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is sourced from PubChem (CID 71031901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).