3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile

C16H13N3O — CID 106887773

IUPAC3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile
SMILESCNCc1occc1-c1cc2ccccc2nc1C#N
InChIInChI=1S/C16H13N3O/c1-18-10-16-12(6-7-20-16)13-8-11-4-2-3-5-14(11)19-15(13)9-17/h2-8,18H,10H2,1H3
InChIKeySZTJJCMGGPIKRR-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.09
Rot. Bonds3

About 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile

3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile (PubChem CID 106887773) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile
PubChem CID106887773
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile
SMILESCNCc1occc1-c1cc2ccccc2nc1C#N
InChIInChI=1S/C16H13N3O/c1-18-10-16-12(6-7-20-16)13-8-11-4-2-3-5-14(11)19-15(13)9-17/h2-8,18H,10H2,1H3
InChIKeySZTJJCMGGPIKRR-UHFFFAOYSA-N
XLogP3.09
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773
N-methyl-1-(3-pyridin-2-ylfuran-2-yl)methanamine
CID 106887188
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
3-[4-(1-hydroxypropan-2-yl)phenyl]quinoline-2-carbonitrile
CID 69277469
1-[3-(2,3-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887032
3-(4-hydroxy-3-methylphenyl)quinoline-2-carbonitrile
CID 83129970
N-methyl-1-[2-(2-methylfuran-3-yl)sulfanylquinolin-3-yl]methanamine
CID 107783184
N-methyl-1-[3-(4-phenoxyphenyl)furan-2-yl]methanamine
CID 106888567
N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
CID 106888309
1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
CID 106887486
1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106888982
2-methylfuro[2,3-c]quinoline-4-carbonitrile
CID 13466197

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile?
The IUPAC name of 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile (CID 106887773) is 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile?
The canonical SMILES for 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile is CNCc1occc1-c1cc2ccccc2nc1C#N.
What is the InChIKey of 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile?
The InChIKey is SZTJJCMGGPIKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-18-10-16-12(6-7-20-16)13-8-11-4-2-3-5-14(11)19-15(13)9-17/h2-8,18H,10H2,1H3.
What are the key properties of 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile?
3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylaminomethyl)furan-3-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 106887773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).