4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile

C22H17N5 — CID 71274618

IUPAC4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
SMILESCNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(C#N)cc3)ccc12
InChIInChI=1S/C22H17N5/c1-14-18(16-7-5-15(12-23)6-8-16)9-10-19-20(14)26-21(27-22(19)24-2)17-4-3-11-25-13-17/h3-11,13H,1-2H3,(H,24,26,27)
InChIKeyANUDURRQSLOVCG-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.58
Rot. Bonds3

About 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile

4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile (PubChem CID 71274618) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
PubChem CID71274618
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
SMILESCNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(C#N)cc3)ccc12
InChIInChI=1S/C22H17N5/c1-14-18(16-7-5-15(12-23)6-8-16)9-10-19-20(14)26-21(27-22(19)24-2)17-4-3-11-25-13-17/h3-11,13H,1-2H3,(H,24,26,27)
InChIKeyANUDURRQSLOVCG-UHFFFAOYSA-N
XLogP4.58
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180280
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile
CID 171588857
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 71151557
6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180161
7-(4-isocyanophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 123812922
4-[4-(methylideneamino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 122494301
4-(2-pyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidin-4-yl)benzonitrile
CID 130267974
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile
CID 154859866
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643

Frequently Asked Questions

What is the IUPAC name of 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile?
The IUPAC name of 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile (CID 71274618) is 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile.
What is the SMILES notation for 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile?
The canonical SMILES for 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile is CNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(C#N)cc3)ccc12.
What is the InChIKey of 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile?
The InChIKey is ANUDURRQSLOVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-14-18(16-7-5-15(12-23)6-8-16)9-10-19-20(14)26-21(27-22(19)24-2)17-4-3-11-25-13-17/h3-11,13H,1-2H3,(H,24,26,27).
What are the key properties of 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile?
4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile is sourced from PubChem (CID 71274618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).