2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide

C22H17ClFN5O — CID 89347946

IUPAC2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide
SMILESO=C(NCCF)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H17ClFN5O/c23-15-7-8-19-17(12-15)21(29-20(27-19)14-4-3-10-25-13-14)28-18-6-2-1-5-16(18)22(30)26-11-9-24/h1-8,10,12-13H,9,11H2,(H,26,30)(H,27,28,29)
InChIKeyWGYBBQNNGGMMGN-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.79
Rot. Bonds6

About 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide

2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide (PubChem CID 89347946) has the molecular formula C22H17ClFN5O and a molecular weight of 421.86 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide
PubChem CID89347946
Molecular FormulaC22H17ClFN5O
Molecular Weight421.86 g/mol
Exact Mass421.11
IUPAC Name2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide
SMILESO=C(NCCF)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H17ClFN5O/c23-15-7-8-19-17(12-15)21(29-20(27-19)14-4-3-10-25-13-14)28-18-6-2-1-5-16(18)22(30)26-11-9-24/h1-8,10,12-13H,9,11H2,(H,26,30)(H,27,28,29)
InChIKeyWGYBBQNNGGMMGN-UHFFFAOYSA-N
XLogP4.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide?
The IUPAC name of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide (CID 89347946) is 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide?
The canonical SMILES for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide is O=C(NCCF)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide?
The InChIKey is WGYBBQNNGGMMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O/c23-15-7-8-19-17(12-15)21(29-20(27-19)14-4-3-10-25-13-14)28-18-6-2-1-5-16(18)22(30)26-11-9-24/h1-8,10,12-13H,9,11H2,(H,26,30)(H,27,28,29).
What are the key properties of 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide?
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide has a molecular weight of 421.86 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-(2-fluoroethyl)benzamide is sourced from PubChem (CID 89347946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).