2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline

C15H16ClNO3 — CID 122498211

IUPAC2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline
SMILESCC1(C)OC[C@H](COc2ccc3nc(Cl)ccc3c2)O1
InChIInChI=1S/C15H16ClNO3/c1-15(2)19-9-12(20-15)8-18-11-4-5-13-10(7-11)3-6-14(16)17-13/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyDJVPJEMNYIDVRX-LBPRGKRZSA-N
MW293.75 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline

2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline (PubChem CID 122498211) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline.

Molecular Properties

Compound Name2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline
PubChem CID122498211
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline
SMILESCC1(C)OC[C@H](COc2ccc3nc(Cl)ccc3c2)O1
InChIInChI=1S/C15H16ClNO3/c1-15(2)19-9-12(20-15)8-18-11-4-5-13-10(7-11)3-6-14(16)17-13/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyDJVPJEMNYIDVRX-LBPRGKRZSA-N
XLogP3.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline?
The IUPAC name of 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline (CID 122498211) is 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline.
What is the SMILES notation for 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline?
The canonical SMILES for 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline is CC1(C)OC[C@H](COc2ccc3nc(Cl)ccc3c2)O1.
What is the InChIKey of 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline?
The InChIKey is DJVPJEMNYIDVRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-15(2)19-9-12(20-15)8-18-11-4-5-13-10(7-11)3-6-14(16)17-13/h3-7,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline?
2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline has a molecular weight of 293.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]quinoline is sourced from PubChem (CID 122498211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).