[2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol

C20H19NO2 — CID 59783217

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol
SMILESCOc1ccc2c(CO)cc(-c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C20H19NO2/c1-23-17-7-8-18-16(12-22)10-19(21-20(18)11-17)15-6-5-13-3-2-4-14(13)9-15/h5-11,22H,2-4,12H2,1H3
InChIKeyWVRFTPIKUJEWPJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.89
Rot. Bonds3

About [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol

[2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol (PubChem CID 59783217) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol
PubChem CID59783217
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol
SMILESCOc1ccc2c(CO)cc(-c3ccc4c(c3)CCC4)nc2c1
InChIInChI=1S/C20H19NO2/c1-23-17-7-8-18-16(12-22)10-19(21-20(18)11-17)15-6-5-13-3-2-4-14(13)9-15/h5-11,22H,2-4,12H2,1H3
InChIKeyWVRFTPIKUJEWPJ-UHFFFAOYSA-N
XLogP3.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol (CID 59783217) is [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol is COc1ccc2c(CO)cc(-c3ccc4c(c3)CCC4)nc2c1.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol?
The InChIKey is WVRFTPIKUJEWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-23-17-7-8-18-16(12-22)10-19(21-20(18)11-17)15-6-5-13-3-2-4-14(13)9-15/h5-11,22H,2-4,12H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol?
[2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol has a molecular weight of 305.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-7-methoxyquinolin-4-yl]methanol is sourced from PubChem (CID 59783217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).