4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile

C23H15N5O — CID 46831453

IUPAC4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12
InChIInChI=1S/C23H15N5O/c1-15-12-17(14-25)8-11-21(15)29-22-19-4-2-3-5-20(19)27-23(28-22)26-18-9-6-16(13-24)7-10-18/h2-12H,1H3,(H,26,27,28)
InChIKeyOWVILDBHEKIHFH-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.22
Rot. Bonds4

About 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile

4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile (PubChem CID 46831453) has the molecular formula C23H15N5O and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile
PubChem CID46831453
Molecular FormulaC23H15N5O
Molecular Weight377.41 g/mol
Exact Mass377.13
IUPAC Name4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12
InChIInChI=1S/C23H15N5O/c1-15-12-17(14-25)8-11-21(15)29-22-19-4-2-3-5-20(19)27-23(28-22)26-18-9-6-16(13-24)7-10-18/h2-12H,1H3,(H,26,27,28)
InChIKeyOWVILDBHEKIHFH-UHFFFAOYSA-N
XLogP5.22
TPSA94.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzonitrile
CID 133282843
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
4-[2-(4-cyanoanilino)-5-phenylpyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 160641297
4-[2-(4-cyanoanilino)-7-methylthieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 24954984
4-[5-bromo-6-chloro-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 11751416
4-[[4-(4-cyclopropylnaphthalen-1-yl)oxy-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
CID 11962688
4-[[4-methyl-6-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112931853
4-[2-(4-cyanoanilino)-7-methylthieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethoxybenzonitrile
CID 24954985
4-[[4-[2-[[4-anilino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71459773
4-[[5-chloro-4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 22170104
3-(2-chloroquinazolin-4-yl)oxybenzonitrile
CID 62477850
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile?
The IUPAC name of 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile (CID 46831453) is 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile.
What is the SMILES notation for 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile?
The canonical SMILES for 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile is Cc1cc(C#N)ccc1Oc1nc(Nc2ccc(C#N)cc2)nc2ccccc12.
What is the InChIKey of 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile?
The InChIKey is OWVILDBHEKIHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O/c1-15-12-17(14-25)8-11-21(15)29-22-19-4-2-3-5-20(19)27-23(28-22)26-18-9-6-16(13-24)7-10-18/h2-12H,1H3,(H,26,27,28).
What are the key properties of 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile?
4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile has a molecular weight of 377.41 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile is sourced from PubChem (CID 46831453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).