bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid

C31H26N2O4 — CID 175208993

IUPACbis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.O=C(O)c1cccc2ccccc12
InChIInChI=1S/C11H8O2.2C10H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7/h1-7H,(H,12,13);2*2-6,12H,1H3
InChIKeyLBUXLLWNIIKCQS-UHFFFAOYSA-N
MW490.56 g/mol
LogP7.04
Rot. Bonds1

About bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid

bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid (PubChem CID 175208993) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid.

Molecular Properties

Compound Namebis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
PubChem CID175208993
Molecular FormulaC31H26N2O4
Molecular Weight490.56 g/mol
Exact Mass490.19
IUPAC Namebis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
SMILESCc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.O=C(O)c1cccc2ccccc12
InChIInChI=1S/C11H8O2.2C10H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7/h1-7H,(H,12,13);2*2-6,12H,1H3
InChIKeyLBUXLLWNIIKCQS-UHFFFAOYSA-N
XLogP7.04
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 57.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 173009222
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
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Frequently Asked Questions

What is the IUPAC name of bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid?
The IUPAC name of bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid (CID 175208993) is bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid.
What is the SMILES notation for bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid?
The canonical SMILES for bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid is Cc1ccc2cccc(O)c2n1.Cc1ccc2cccc(O)c2n1.O=C(O)c1cccc2ccccc12.
What is the InChIKey of bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid?
The InChIKey is LBUXLLWNIIKCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.2C10H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7/h1-7H,(H,12,13);2*2-6,12H,1H3.
What are the key properties of bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid?
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid has a molecular weight of 490.56 g/mol, XLogP of 7.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid is sourced from PubChem (CID 175208993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).