2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

C20H14FN5O — CID 71273500

IUPAC2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2c(F)cccc12
InChIInChI=1S/C20H14FN5O/c21-15-8-3-7-14-17(15)25-19(12-5-4-10-23-11-12)26-20(14)24-16-9-2-1-6-13(16)18(22)27/h1-11H,(H2,22,27)(H,24,25,26)
InChIKeyGOCJAYJYUMUAJX-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.67
Rot. Bonds4

About 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 71273500) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID71273500
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2c(F)cccc12
InChIInChI=1S/C20H14FN5O/c21-15-8-3-7-14-17(15)25-19(12-5-4-10-23-11-12)26-20(14)24-16-9-2-1-6-13(16)18(22)27/h1-11H,(H2,22,27)(H,24,25,26)
InChIKeyGOCJAYJYUMUAJX-UHFFFAOYSA-N
XLogP3.67
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[8-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180374
2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 67297950
2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181221
2-[(8-methoxy-6-methyl-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 144501322
4-[(5-fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid
CID 71151373
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-propylbenzamide
CID 71180520
N-[(4-chlorophenyl)methyl]-2-[(7-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71181264
2-[(7-chloro-2-pyridazin-4-ylquinazolin-4-yl)amino]benzamide
CID 71180723

Frequently Asked Questions

What is the IUPAC name of 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 71273500) is 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is NC(=O)c1ccccc1Nc1nc(-c2cccnc2)nc2c(F)cccc12.
What is the InChIKey of 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is GOCJAYJYUMUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-15-8-3-7-14-17(15)25-19(12-5-4-10-23-11-12)26-20(14)24-16-9-2-1-6-13(16)18(22)27/h1-11H,(H2,22,27)(H,24,25,26).
What are the key properties of 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 359.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71273500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).