2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline

C13H12ClNO3 — CID 3151022

IUPAC2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline
SMILESCOc1ccc2cc(C3OCCO3)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO3/c1-16-9-3-2-8-6-10(13-17-4-5-18-13)12(14)15-11(8)7-9/h2-3,6-7,13H,4-5H2,1H3
InChIKeyWYOBAFKMGUTGJF-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.94
Rot. Bonds2

About 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline

2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline (PubChem CID 3151022) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline
PubChem CID3151022
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline
SMILESCOc1ccc2cc(C3OCCO3)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO3/c1-16-9-3-2-8-6-10(13-17-4-5-18-13)12(14)15-11(8)7-9/h2-3,6-7,13H,4-5H2,1H3
InChIKeyWYOBAFKMGUTGJF-UHFFFAOYSA-N
XLogP2.94
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Graveolinine
CID 11044132
4-Chloro-7-methoxyquinoline
CID 10607829
2,3-Dihydro-7-methoxyfuro[2,3-b]quinoline
CID 608484
2-Chloro-7-methoxyquinoline-3-carbaldehyde oxime
CID 9624272
2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
2-Chloro-7-methoxyquinoline-3-methanol
CID 828415
4-Chloro-7-(propan-2-yloxy)quinoline
CID 78324000
2-Chloro-6,7-dimethoxy-3-phenylquinoline
CID 2794462
2-Chloro-7-methoxy-4-methylquinoline
CID 732214
2-Chloro-7-methoxyquinoline-3-carbonitrile
CID 778250
2-Chloro-4-methoxyquinoline
CID 12369166
4-Methoxy-2-(4-methoxyphenyl)quinoline
CID 826244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline?
The IUPAC name of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline (CID 3151022) is 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline.
What is the SMILES notation for 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline?
The canonical SMILES for 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline is COc1ccc2cc(C3OCCO3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline?
The InChIKey is WYOBAFKMGUTGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-16-9-3-2-8-6-10(13-17-4-5-18-13)12(14)15-11(8)7-9/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline?
2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline has a molecular weight of 265.70 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline is sourced from PubChem (CID 3151022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).