3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile

C21H16N4O — CID 3234907

IUPAC3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile
SMILESCN(Cc1ccco1)c1nc(-c2cccc(C#N)c2)nc2ccccc12
InChIInChI=1S/C21H16N4O/c1-25(14-17-8-5-11-26-17)21-18-9-2-3-10-19(18)23-20(24-21)16-7-4-6-15(12-16)13-22/h2-12H,14H2,1H3
InChIKeyGLDVYORZZLDMMA-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.40
Rot. Bonds4

About 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile

3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile (PubChem CID 3234907) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile
PubChem CID3234907
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile
SMILESCN(Cc1ccco1)c1nc(-c2cccc(C#N)c2)nc2ccccc12
InChIInChI=1S/C21H16N4O/c1-25(14-17-8-5-11-26-17)21-18-9-2-3-10-19(18)23-20(24-21)16-7-4-6-15(12-16)13-22/h2-12H,14H2,1H3
InChIKeyGLDVYORZZLDMMA-UHFFFAOYSA-N
XLogP4.40
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile?
The IUPAC name of 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile (CID 3234907) is 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile is CN(Cc1ccco1)c1nc(-c2cccc(C#N)c2)nc2ccccc12.
What is the InChIKey of 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile?
The InChIKey is GLDVYORZZLDMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-25(14-17-8-5-11-26-17)21-18-9-2-3-10-19(18)23-20(24-21)16-7-4-6-15(12-16)13-22/h2-12H,14H2,1H3.
What are the key properties of 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile?
3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile has a molecular weight of 340.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile is sourced from PubChem (CID 3234907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).