8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine

C10H5ClF2N2O2 — CID 102614003

IUPAC8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine
SMILESNc1cnc2cc3c(cc2c1Cl)OC(F)(F)O3
InChIInChI=1S/C10H5ClF2N2O2/c11-9-4-1-7-8(17-10(12,13)16-7)2-6(4)15-3-5(9)14/h1-3H,14H2
InChIKeyOJUZPNOUYCTBJE-UHFFFAOYSA-N
MW258.61 g/mol
LogP2.79
Rot. Bonds

About 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine

8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine (PubChem CID 102614003) has the molecular formula C10H5ClF2N2O2 and a molecular weight of 258.61 g/mol. Its IUPAC name is 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine.

Molecular Properties

Compound Name8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine
PubChem CID102614003
Molecular FormulaC10H5ClF2N2O2
Molecular Weight258.61 g/mol
Exact Mass258.00
IUPAC Name8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine
SMILESNc1cnc2cc3c(cc2c1Cl)OC(F)(F)O3
InChIInChI=1S/C10H5ClF2N2O2/c11-9-4-1-7-8(17-10(12,13)16-7)2-6(4)15-3-5(9)14/h1-3H,14H2
InChIKeyOJUZPNOUYCTBJE-UHFFFAOYSA-N
XLogP2.79
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.61
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine?
The IUPAC name of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine (CID 102614003) is 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine.
What is the SMILES notation for 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine?
The canonical SMILES for 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine is Nc1cnc2cc3c(cc2c1Cl)OC(F)(F)O3.
What is the InChIKey of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine?
The InChIKey is OJUZPNOUYCTBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O2/c11-9-4-1-7-8(17-10(12,13)16-7)2-6(4)15-3-5(9)14/h1-3H,14H2.
What are the key properties of 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine?
8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine has a molecular weight of 258.61 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine is sourced from PubChem (CID 102614003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).