4-(methylamino)quinoline-2-carbaldehyde

C11H10N2O — CID 142024899

IUPAC4-(methylamino)quinoline-2-carbaldehyde
SMILESCNc1cc(C=O)nc2ccccc12
InChIInChI=1S/C11H10N2O/c1-12-11-6-8(7-14)13-10-5-3-2-4-9(10)11/h2-7H,1H3,(H,12,13)
InChIKeyMSYHTZCRRMUUPK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.09
Rot. Bonds2

About 4-(methylamino)quinoline-2-carbaldehyde

4-(methylamino)quinoline-2-carbaldehyde (PubChem CID 142024899) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(methylamino)quinoline-2-carbaldehyde.

Molecular Properties

Compound Name4-(methylamino)quinoline-2-carbaldehyde
PubChem CID142024899
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(methylamino)quinoline-2-carbaldehyde
SMILESCNc1cc(C=O)nc2ccccc12
InChIInChI=1S/C11H10N2O/c1-12-11-6-8(7-14)13-10-5-3-2-4-9(10)11/h2-7H,1H3,(H,12,13)
InChIKeyMSYHTZCRRMUUPK-UHFFFAOYSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylquinoline-2-carbaldehyde
CID 12735795
4-chloroquinoline-2-carbaldehyde
CID 15560685
2-N,2-N,4-N-trimethylquinoline-2,4-diamine
CID 14338127
2-formylquinoline-4-carboxamide
CID 15560688
benzo[f]quinoline-3-carbaldehyde
CID 102020467
N-methyl-2-naphthalen-2-ylquinolin-4-amine
CID 142840384
3-(methylamino)acridine-4-carbaldehyde
CID 11831417
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
N-(2-aminoquinolin-4-yl)formamide
CID 87318709
1,5-dimethylisoquinoline-3-carbaldehyde
CID 83528029
N-methylcinnolin-4-amine
CID 6412705

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)quinoline-2-carbaldehyde?
The IUPAC name of 4-(methylamino)quinoline-2-carbaldehyde (CID 142024899) is 4-(methylamino)quinoline-2-carbaldehyde.
What is the SMILES notation for 4-(methylamino)quinoline-2-carbaldehyde?
The canonical SMILES for 4-(methylamino)quinoline-2-carbaldehyde is CNc1cc(C=O)nc2ccccc12.
What is the InChIKey of 4-(methylamino)quinoline-2-carbaldehyde?
The InChIKey is MSYHTZCRRMUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-12-11-6-8(7-14)13-10-5-3-2-4-9(10)11/h2-7H,1H3,(H,12,13).
What are the key properties of 4-(methylamino)quinoline-2-carbaldehyde?
4-(methylamino)quinoline-2-carbaldehyde has a molecular weight of 186.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)quinoline-2-carbaldehyde is sourced from PubChem (CID 142024899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).