2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde

C16H16N4O — CID 61442526

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde
SMILESCN(Cc1cnn(C)c1)c1nc2ccccc2cc1C=O
InChIInChI=1S/C16H16N4O/c1-19(9-12-8-17-20(2)10-12)16-14(11-21)7-13-5-3-4-6-15(13)18-16/h3-8,10-11H,9H2,1-2H3
InChIKeyMPXAFRRMPOXOIT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde (PubChem CID 61442526) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde
PubChem CID61442526
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde
SMILESCN(Cc1cnn(C)c1)c1nc2ccccc2cc1C=O
InChIInChI=1S/C16H16N4O/c1-19(9-12-8-17-20(2)10-12)16-14(11-21)7-13-5-3-4-6-15(13)18-16/h3-8,10-11H,9H2,1-2H3
InChIKeyMPXAFRRMPOXOIT-UHFFFAOYSA-N
XLogP2.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
CID 61442479
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61426585
N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine
CID 100703434
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61442386
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 31921150
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
CID 54995444
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzoxazole-2,6-diamine
CID 79893044
[2-[benzyl(methyl)amino]quinolin-3-yl]methanol
CID 28963473

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde (CID 61442526) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde is CN(Cc1cnn(C)c1)c1nc2ccccc2cc1C=O.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde?
The InChIKey is MPXAFRRMPOXOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19(9-12-8-17-20(2)10-12)16-14(11-21)7-13-5-3-4-6-15(13)18-16/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde is sourced from PubChem (CID 61442526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).