7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline

C10H5Cl2NO2 — CID 112756280

IUPAC7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline
SMILESClc1cnc2cc3c(cc2c1Cl)OCO3
InChIInChI=1S/C10H5Cl2NO2/c11-6-3-13-7-2-9-8(14-4-15-9)1-5(7)10(6)12/h1-3H,4H2
InChIKeyZYZAQPHAEMRVCI-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.27
Rot. Bonds

About 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline

7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 112756280) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline
PubChem CID112756280
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline
SMILESClc1cnc2cc3c(cc2c1Cl)OCO3
InChIInChI=1S/C10H5Cl2NO2/c11-6-3-13-7-2-9-8(14-4-15-9)1-5(7)10(6)12/h1-3H,4H2
InChIKeyZYZAQPHAEMRVCI-UHFFFAOYSA-N
XLogP3.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
CID 102613983
4-chloro-[1,3]dioxolo[4,5-g]cinnoline
CID 22139485
6,7-dichloro-[1,3]dioxolo[4,5-g]quinoxaline
CID 133062918
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
8-(diethylamino)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 39732445
9-chloro-[1,3]dioxolo[4,5-g]quinoline
CID 156692579
6-chloro-[1,3]dioxolo[4,5-j]phenanthridine
CID 11032549
3,5-diphenyl-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
CID 8721626
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxylic acid
CID 67471896
3-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,7,9,11(15)-hexaene
CID 20953414
3-chloro-[1,3]dioxolo[4,5-g][1,2,4]benzotriazine
CID 87855369

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline (CID 112756280) is 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline is Clc1cnc2cc3c(cc2c1Cl)OCO3.
What is the InChIKey of 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is ZYZAQPHAEMRVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-6-3-13-7-2-9-8(14-4-15-9)1-5(7)10(6)12/h1-3H,4H2.
What are the key properties of 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline?
7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 242.06 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 112756280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).