2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde

C16H14N2O2 — CID 43527026

IUPAC2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde
SMILESCN(Cc1ccco1)c1nc2ccccc2cc1C=O
InChIInChI=1S/C16H14N2O2/c1-18(10-14-6-4-8-20-14)16-13(11-19)9-12-5-2-3-7-15(12)17-16/h2-9,11H,10H2,1H3
InChIKeyZMYNSZGLQPRNCT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.28
Rot. Bonds4

About 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde

2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde (PubChem CID 43527026) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde
PubChem CID43527026
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde
SMILESCN(Cc1ccco1)c1nc2ccccc2cc1C=O
InChIInChI=1S/C16H14N2O2/c1-18(10-14-6-4-8-20-14)16-13(11-19)9-12-5-2-3-7-15(12)17-16/h2-9,11H,10H2,1H3
InChIKeyZMYNSZGLQPRNCT-UHFFFAOYSA-N
XLogP3.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.28
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

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61426585
2-[cyclopropylmethyl(methyl)amino]quinoline-3-carbaldehyde
CID 54884071
3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
CID 62299114
2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
CID 63374307
2-[1-methoxypropan-2-yl(methyl)amino]quinoline-3-carbaldehyde
CID 61451313
1-(furan-2-yl)-N-methyl-N-(quinolin-3-ylmethyl)methanamine
CID 23936129
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235248
6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
6-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235372
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
2-[cyclopropyl(2-hydroxyethyl)amino]quinoline-3-carbaldehyde
CID 54995444

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde?
The IUPAC name of 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde (CID 43527026) is 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde.
What is the SMILES notation for 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde?
The canonical SMILES for 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde is CN(Cc1ccco1)c1nc2ccccc2cc1C=O.
What is the InChIKey of 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde?
The InChIKey is ZMYNSZGLQPRNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18(10-14-6-4-8-20-14)16-13(11-19)9-12-5-2-3-7-15(12)17-16/h2-9,11H,10H2,1H3.
What are the key properties of 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde?
2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde is sourced from PubChem (CID 43527026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).