8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline

C17H20ClNO2 — CID 141101579

IUPAC8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline
SMILESCC1CCC(N2CC=C(Cl)c3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C17H20ClNO2/c1-11-2-4-12(5-3-11)19-7-6-14(18)13-8-16-17(9-15(13)19)21-10-20-16/h6,8-9,11-12H,2-5,7,10H2,1H3
InChIKeyQXDGWQFPAVLQOI-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.39
Rot. Bonds1

About 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline

8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 141101579) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline
PubChem CID141101579
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline
SMILESCC1CCC(N2CC=C(Cl)c3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C17H20ClNO2/c1-11-2-4-12(5-3-11)19-7-6-14(18)13-8-16-17(9-15(13)19)21-10-20-16/h6,8-9,11-12H,2-5,7,10H2,1H3
InChIKeyQXDGWQFPAVLQOI-UHFFFAOYSA-N
XLogP4.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline (CID 141101579) is 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline is CC1CCC(N2CC=C(Cl)c3cc4c(cc32)OCO4)CC1.
What is the InChIKey of 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is QXDGWQFPAVLQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-2-4-12(5-3-11)19-7-6-14(18)13-8-16-17(9-15(13)19)21-10-20-16/h6,8-9,11-12H,2-5,7,10H2,1H3.
What are the key properties of 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline?
8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 305.81 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(4-methylcyclohexyl)-6H-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 141101579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).