4-chloro-3-nitro-8-propoxyquinoline

C12H11ClN2O3 — CID 102614028

IUPAC4-chloro-3-nitro-8-propoxyquinoline
SMILESCCCOc1cccc2c(Cl)c([N+](=O)[O-])cnc12
InChIInChI=1S/C12H11ClN2O3/c1-2-6-18-10-5-3-4-8-11(13)9(15(16)17)7-14-12(8)10/h3-5,7H,2,6H2,1H3
InChIKeyOALDNWAVDPAYTB-UHFFFAOYSA-N
MW266.68 g/mol
LogP3.59
Rot. Bonds4

About 4-chloro-3-nitro-8-propoxyquinoline

4-chloro-3-nitro-8-propoxyquinoline (PubChem CID 102614028) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-chloro-3-nitro-8-propoxyquinoline.

Molecular Properties

Compound Name4-chloro-3-nitro-8-propoxyquinoline
PubChem CID102614028
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name4-chloro-3-nitro-8-propoxyquinoline
SMILESCCCOc1cccc2c(Cl)c([N+](=O)[O-])cnc12
InChIInChI=1S/C12H11ClN2O3/c1-2-6-18-10-5-3-4-8-11(13)9(15(16)17)7-14-12(8)10/h3-5,7H,2,6H2,1H3
InChIKeyOALDNWAVDPAYTB-UHFFFAOYSA-N
XLogP3.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-8-propoxyquinoline?
The IUPAC name of 4-chloro-3-nitro-8-propoxyquinoline (CID 102614028) is 4-chloro-3-nitro-8-propoxyquinoline.
What is the SMILES notation for 4-chloro-3-nitro-8-propoxyquinoline?
The canonical SMILES for 4-chloro-3-nitro-8-propoxyquinoline is CCCOc1cccc2c(Cl)c([N+](=O)[O-])cnc12.
What is the InChIKey of 4-chloro-3-nitro-8-propoxyquinoline?
The InChIKey is OALDNWAVDPAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-2-6-18-10-5-3-4-8-11(13)9(15(16)17)7-14-12(8)10/h3-5,7H,2,6H2,1H3.
What are the key properties of 4-chloro-3-nitro-8-propoxyquinoline?
4-chloro-3-nitro-8-propoxyquinoline has a molecular weight of 266.68 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-8-propoxyquinoline is sourced from PubChem (CID 102614028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).