4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline

C20H18ClNO — CID 129011322

IUPAC4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
SMILESCc1ccc(Oc2cc(CCl)c3ccccc3n2)c2c1CCC2
InChIInChI=1S/C20H18ClNO/c1-13-9-10-19(17-7-4-6-15(13)17)23-20-11-14(12-21)16-5-2-3-8-18(16)22-20/h2-3,5,8-11H,4,6-7,12H2,1H3
InChIKeyKSIVGENCFILLEJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.56
Rot. Bonds3

About 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline

4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline (PubChem CID 129011322) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
PubChem CID129011322
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
SMILESCc1ccc(Oc2cc(CCl)c3ccccc3n2)c2c1CCC2
InChIInChI=1S/C20H18ClNO/c1-13-9-10-19(17-7-4-6-15(13)17)23-20-11-14(12-21)16-5-2-3-8-18(16)22-20/h2-3,5,8-11H,4,6-7,12H2,1H3
InChIKeyKSIVGENCFILLEJ-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline?
The IUPAC name of 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline (CID 129011322) is 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline?
The canonical SMILES for 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline is Cc1ccc(Oc2cc(CCl)c3ccccc3n2)c2c1CCC2.
What is the InChIKey of 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline?
The InChIKey is KSIVGENCFILLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-13-9-10-19(17-7-4-6-15(13)17)23-20-11-14(12-21)16-5-2-3-8-18(16)22-20/h2-3,5,8-11H,4,6-7,12H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline?
4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline has a molecular weight of 323.82 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline is sourced from PubChem (CID 129011322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).