3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde

C17H13NO3 — CID 39225240

IUPAC3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(O)c2ncccc12
InChIInChI=1S/C17H13NO3/c1-21-16-7-4-11(10-19)9-14(16)12-5-6-15(20)17-13(12)3-2-8-18-17/h2-10,20H,1H3
InChIKeyMWSMOPCCAIINOP-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.43
Rot. Bonds3

About 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde

3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde (PubChem CID 39225240) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde
PubChem CID39225240
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1-c1ccc(O)c2ncccc12
InChIInChI=1S/C17H13NO3/c1-21-16-7-4-11(10-19)9-14(16)12-5-6-15(20)17-13(12)3-2-8-18-17/h2-10,20H,1H3
InChIKeyMWSMOPCCAIINOP-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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Related Compounds

3-hydroxy-4-methoxybenzaldehyde
CID 87256894
5-(3-amino-4,5-dimethoxyphenyl)quinolin-8-ol
CID 142849594
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
CID 130345281
CID 130345281
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
CID 136954896
5-naphthalen-1-ylquinolin-8-ol;zinc
CID 20606771
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde (CID 39225240) is 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1-c1ccc(O)c2ncccc12.
What is the InChIKey of 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde?
The InChIKey is MWSMOPCCAIINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-16-7-4-11(10-19)9-14(16)12-5-6-15(20)17-13(12)3-2-8-18-17/h2-10,20H,1H3.
What are the key properties of 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde?
3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde 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 3-(8-hydroxyquinolin-5-yl)-4-methoxybenzaldehyde is sourced from PubChem (CID 39225240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).