2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde

C17H13NO3 — CID 39225175

IUPAC2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
SMILESCOc1cc(-c2ccc3ncccc3c2)cc(C=O)c1O
InChIInChI=1S/C17H13NO3/c1-21-16-9-13(8-14(10-19)17(16)20)11-4-5-15-12(7-11)3-2-6-18-15/h2-10,20H,1H3
InChIKeyLBPWFKBVCSYMNI-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.43
Rot. Bonds3

About 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde

2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde (PubChem CID 39225175) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
PubChem CID39225175
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
SMILESCOc1cc(-c2ccc3ncccc3c2)cc(C=O)c1O
InChIInChI=1S/C17H13NO3/c1-21-16-9-13(8-14(10-19)17(16)20)11-4-5-15-12(7-11)3-2-6-18-15/h2-10,20H,1H3
InChIKeyLBPWFKBVCSYMNI-UHFFFAOYSA-N
XLogP3.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde (CID 39225175) is 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde is COc1cc(-c2ccc3ncccc3c2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde?
The InChIKey is LBPWFKBVCSYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-16-9-13(8-14(10-19)17(16)20)11-4-5-15-12(7-11)3-2-6-18-15/h2-10,20H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde?
2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde has a molecular weight of 279.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde is sourced from PubChem (CID 39225175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).