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

C13H12ClNO2 — CID 12871073

IUPAC2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline
SMILESCc1ccc2cc(C3OCCO3)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO2/c1-8-2-3-9-7-10(13-16-4-5-17-13)12(14)15-11(9)6-8/h2-3,6-7,13H,4-5H2,1H3
InChIKeyYEBLFDLIDYAAMZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.24
Rot. Bonds1

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

2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline (PubChem CID 12871073) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline.

Molecular Properties

Compound Name2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline
PubChem CID12871073
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline
SMILESCc1ccc2cc(C3OCCO3)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO2/c1-8-2-3-9-7-10(13-16-4-5-17-13)12(14)15-11(9)6-8/h2-3,6-7,13H,4-5H2,1H3
InChIKeyYEBLFDLIDYAAMZ-UHFFFAOYSA-N
XLogP3.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3-(1,3-dioxolan-2-yl)-7-methoxyquinoline
CID 3151022
(2-Chloro-7-methylquinolin-3-yl)methanol
CID 828414
1-ethoxy-3-phenyl-1H-pyrano[4,3-b]quinoline
CID 46865890
1-methoxy-3-phenyl-1H-pyrano[4,3-b]quinoline
CID 46880537
Quinoline, 3-(1,3-dioxolan-2-yl)-2-iodo-
CID 11347989
2-Methyl-quinoline-3-carbaldehyde dimethyl acetal
CID 12554591
6-Chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline
CID 146169927
4-(2-Methyl-1,3-dioxolan-4-yl)-2,8-bis(trifluoromethyl)quinoline
CID 123853924
4-[(4R)-2-methyl-1,3-dioxolan-4-yl]-2,8-bis(trifluoromethyl)quinoline
CID 144426166
7-(Fluoromethyl)-4-methyl-1,3-dihydrofuro[3,4-c]quinoline
CID 172605667
1,1-diethoxy-2H-cyclobuta[b]quinoline
CID 336917
4-(1,3-Dioxolan-2-yl)-2-methylquinoline
CID 13218052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline?
The IUPAC name of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline (CID 12871073) is 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline.
What is the SMILES notation for 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline?
The canonical SMILES for 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline is Cc1ccc2cc(C3OCCO3)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline?
The InChIKey is YEBLFDLIDYAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8-2-3-9-7-10(13-16-4-5-17-13)12(14)15-11(9)6-8/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline?
2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline has a molecular weight of 249.70 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1,3-dioxolan-2-yl)-7-methylquinoline is sourced from PubChem (CID 12871073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).