2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

C26H17F2N5O — CID 71181221

IUPAC2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3ccc(F)cc3F)ccc12
InChIInChI=1S/C26H17F2N5O/c27-17-8-10-18(21(28)13-17)15-7-9-20-23(12-15)32-25(16-4-3-11-30-14-16)33-26(20)31-22-6-2-1-5-19(22)24(29)34/h1-14H,(H2,29,34)(H,31,32,33)
InChIKeyWXUTZDAJHYMQLH-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.48
Rot. Bonds5

About 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide

2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (PubChem CID 71181221) has the molecular formula C26H17F2N5O and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
PubChem CID71181221
Molecular FormulaC26H17F2N5O
Molecular Weight453.45 g/mol
Exact Mass453.14
IUPAC Name2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3ccc(F)cc3F)ccc12
InChIInChI=1S/C26H17F2N5O/c27-17-8-10-18(21(28)13-17)15-7-9-20-23(12-15)32-25(16-4-3-11-30-14-16)33-26(20)31-22-6-2-1-5-19(22)24(29)34/h1-14H,(H2,29,34)(H,31,32,33)
InChIKeyWXUTZDAJHYMQLH-UHFFFAOYSA-N
XLogP5.48
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide with MolForge

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Related Compounds

2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71273500
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71180723
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71181264
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274702
2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 144501322
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056
7-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180451

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The IUPAC name of 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide (CID 71181221) is 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The canonical SMILES for 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2cc(-c3ccc(F)cc3F)ccc12.
What is the InChIKey of 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
The InChIKey is WXUTZDAJHYMQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N5O/c27-17-8-10-18(21(28)13-17)15-7-9-20-23(12-15)32-25(16-4-3-11-30-14-16)33-26(20)31-22-6-2-1-5-19(22)24(29)34/h1-14H,(H2,29,34)(H,31,32,33).
What are the key properties of 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide?
2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide has a molecular weight of 453.45 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 71181221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).