3-(methylamino)acridine-4-carbaldehyde

C15H12N2O — CID 11831417

IUPAC3-(methylamino)acridine-4-carbaldehyde
SMILESCNc1ccc2cc3ccccc3nc2c1C=O
InChIInChI=1S/C15H12N2O/c1-16-14-7-6-11-8-10-4-2-3-5-13(10)17-15(11)12(14)9-18/h2-9,16H,1H3
InChIKeyZMGJGORMOMEJFI-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.24
Rot. Bonds2

About 3-(methylamino)acridine-4-carbaldehyde

3-(methylamino)acridine-4-carbaldehyde (PubChem CID 11831417) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(methylamino)acridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(methylamino)acridine-4-carbaldehyde
PubChem CID11831417
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name3-(methylamino)acridine-4-carbaldehyde
SMILESCNc1ccc2cc3ccccc3nc2c1C=O
InChIInChI=1S/C15H12N2O/c1-16-14-7-6-11-8-10-4-2-3-5-13(10)17-15(11)12(14)9-18/h2-9,16H,1H3
InChIKeyZMGJGORMOMEJFI-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)quinoline-2-carbaldehyde
CID 142024899
N-methylacridin-4-amine;N-phenylbenzamide
CID 174981104
2-methylbenzo[b][1,10]phenanthroline
CID 11615688
3-methylacridin-4-ol
CID 89346727
acridine;ethane
CID 123684759
acridine
CID 21226281
4-methylacridin-3-ol
CID 135711163
N-acridin-4-yl-2-cyanoacetamide
CID 168524343
3-methylquinoline-2-carbaldehyde
CID 22832126
4-propan-2-ylacridine
CID 87209750
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
acridine;argon
CID 157415582

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)acridine-4-carbaldehyde?
The IUPAC name of 3-(methylamino)acridine-4-carbaldehyde (CID 11831417) is 3-(methylamino)acridine-4-carbaldehyde.
What is the SMILES notation for 3-(methylamino)acridine-4-carbaldehyde?
The canonical SMILES for 3-(methylamino)acridine-4-carbaldehyde is CNc1ccc2cc3ccccc3nc2c1C=O.
What is the InChIKey of 3-(methylamino)acridine-4-carbaldehyde?
The InChIKey is ZMGJGORMOMEJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-16-14-7-6-11-8-10-4-2-3-5-13(10)17-15(11)12(14)9-18/h2-9,16H,1H3.
What are the key properties of 3-(methylamino)acridine-4-carbaldehyde?
3-(methylamino)acridine-4-carbaldehyde has a molecular weight of 236.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)acridine-4-carbaldehyde is sourced from PubChem (CID 11831417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).