4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde

C14H16N2O2 — CID 82573899

IUPAC4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde
SMILESCOc1ccc2nc(C)cc(N(C)C)c2c1C=O
InChIInChI=1S/C14H16N2O2/c1-9-7-12(16(2)3)14-10(8-17)13(18-4)6-5-11(14)15-9/h5-8H,1-4H3
InChIKeyZNOYVUFSWDQGGC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.43
Rot. Bonds3

About 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde

4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde (PubChem CID 82573899) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde
PubChem CID82573899
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde
SMILESCOc1ccc2nc(C)cc(N(C)C)c2c1C=O
InChIInChI=1S/C14H16N2O2/c1-9-7-12(16(2)3)14-10(8-17)13(18-4)6-5-11(14)15-9/h5-8H,1-4H3
InChIKeyZNOYVUFSWDQGGC-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-aminobutyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine
CID 82577852
5-(aminomethyl)-8-methoxy-N,N,2-trimethylquinolin-4-amine
CID 82573714
4-(dimethylamino)-N-hydroxy-8-methoxy-2-methylquinoline-5-carboxamide
CID 82574539
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
5,8-dimethoxy-3-methylisoquinoline-1-carbaldehyde
CID 53392577
5-bromo-4-chloro-6-methoxy-2-methylquinoline
CID 82581093
4-methoxy-2-naphthalen-2-ylbenzene-1,3-dicarbaldehyde
CID 175432484
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
3-hydroxy-5-methoxy-1-benzothiophene-4-carbaldehyde
CID 130913403
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde?
The IUPAC name of 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde (CID 82573899) is 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde.
What is the SMILES notation for 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde?
The canonical SMILES for 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde is COc1ccc2nc(C)cc(N(C)C)c2c1C=O.
What is the InChIKey of 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde?
The InChIKey is ZNOYVUFSWDQGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-7-12(16(2)3)14-10(8-17)13(18-4)6-5-11(14)15-9/h5-8H,1-4H3.
What are the key properties of 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde?
4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methoxy-2-methylquinoline-5-carbaldehyde is sourced from PubChem (CID 82573899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).