2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile

C26H15F2N5 — CID 71180181

IUPAC2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C26H15F2N5/c27-22-9-8-19(13-23(22)28)31-26-21-12-16(20-6-2-1-4-17(20)14-29)7-10-24(21)32-25(33-26)18-5-3-11-30-15-18/h1-13,15H,(H,31,32,33)
InChIKeyDRORVJJLSPXUOW-UHFFFAOYSA-N
MW435.44 g/mol
LogP6.25
Rot. Bonds4

About 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile

2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile (PubChem CID 71180181) has the molecular formula C26H15F2N5 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
PubChem CID71180181
Molecular FormulaC26H15F2N5
Molecular Weight435.44 g/mol
Exact Mass435.13
IUPAC Name2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(F)c3)c2c1
InChIInChI=1S/C26H15F2N5/c27-22-9-8-19(13-23(22)28)31-26-21-12-16(20-6-2-1-4-17(20)14-29)7-10-24(21)32-25(33-26)18-5-3-11-30-15-18/h1-13,15H,(H,31,32,33)
InChIKeyDRORVJJLSPXUOW-UHFFFAOYSA-N
XLogP6.25
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180451
4-[4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]but-3-enenitrile
CID 67298078
N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-thiophen-2-ylquinazolin-4-amine
CID 71274188
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180072
6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274702
3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzonitrile
CID 71274262
7-chloro-N-(3-ethynyl-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144500888
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
N-[4-fluoro-3-(iodomethyl)phenyl]-6-(2-methoxy-4-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89418762
7-bromo-N-(4-fluoro-3-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 144501523
6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180161

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile?
The IUPAC name of 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile (CID 71180181) is 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile.
What is the SMILES notation for 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile?
The canonical SMILES for 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile is N#Cc1ccccc1-c1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(F)c3)c2c1.
What is the InChIKey of 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile?
The InChIKey is DRORVJJLSPXUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F2N5/c27-22-9-8-19(13-23(22)28)31-26-21-12-16(20-6-2-1-4-17(20)14-29)7-10-24(21)32-25(33-26)18-5-3-11-30-15-18/h1-13,15H,(H,31,32,33).
What are the key properties of 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile?
2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile has a molecular weight of 435.44 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile is sourced from PubChem (CID 71180181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).