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

C10H5ClN2O4 — CID 102613983

IUPAC8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
SMILESO=[N+]([O-])c1cnc2cc3c(cc2c1Cl)OCO3
InChIInChI=1S/C10H5ClN2O4/c11-10-5-1-8-9(17-4-16-8)2-6(5)12-3-7(10)13(14)15/h1-3H,4H2
InChIKeyYDWVJASCSPGRMM-UHFFFAOYSA-N
MW252.61 g/mol
LogP2.53
Rot. Bonds1

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

8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 102613983) has the molecular formula C10H5ClN2O4 and a molecular weight of 252.61 g/mol. Its IUPAC name is 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
PubChem CID102613983
Molecular FormulaC10H5ClN2O4
Molecular Weight252.61 g/mol
Exact Mass251.99
IUPAC Name8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
SMILESO=[N+]([O-])c1cnc2cc3c(cc2c1Cl)OCO3
InChIInChI=1S/C10H5ClN2O4/c11-10-5-1-8-9(17-4-16-8)2-6(5)12-3-7(10)13(14)15/h1-3H,4H2
InChIKeyYDWVJASCSPGRMM-UHFFFAOYSA-N
XLogP2.53
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.61
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7,8-dichloro-[1,3]dioxolo[4,5-g]quinoline
CID 112756280
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
4-chloro-3-nitroquinoline;ethane
CID 90799881
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
methyl 4-chloro-7-methoxy-3-nitroquinoline-6-carboxylate
CID 169128533
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
21-[2-(dimethylamino)ethyl]-15-nitro-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one
CID 11729193
6-nitro-1,3-benzodioxole-5-carbonyl chloride
CID 15563894
6-chloro-3-nitro-1H-quinolin-4-one;4,6-dichloro-3-nitroquinoline
CID 158162895
5-(2,2-dimethylpropyl)-6-nitro-1,3-benzodioxole
CID 20811673

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline (CID 102613983) is 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline is O=[N+]([O-])c1cnc2cc3c(cc2c1Cl)OCO3.
What is the InChIKey of 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is YDWVJASCSPGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4/c11-10-5-1-8-9(17-4-16-8)2-6(5)12-3-7(10)13(14)15/h1-3H,4H2.
What are the key properties of 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline?
8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 252.61 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 102613983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).