3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide

C22H16F2N4O — CID 58829783

IUPAC3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C22H16F2N4O/c1-12-2-3-14(21(29)27-20-7-5-16(23)10-18(20)24)9-17(12)13-4-6-19-15(8-13)11-26-22(25)28-19/h2-11H,1H3,(H,27,29)(H2,25,26,28)
InChIKeySGFSCTBPIKXMHL-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.72
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide

3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide (PubChem CID 58829783) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
PubChem CID58829783
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(N)ncc2c1
InChIInChI=1S/C22H16F2N4O/c1-12-2-3-14(21(29)27-20-7-5-16(23)10-18(20)24)9-17(12)13-4-6-19-15(8-13)11-26-22(25)28-19/h2-11H,1H3,(H,27,29)(H2,25,26,28)
InChIKeySGFSCTBPIKXMHL-UHFFFAOYSA-N
XLogP4.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide (CID 58829783) is 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1-c1ccc2nc(N)ncc2c1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide?
The InChIKey is SGFSCTBPIKXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c1-12-2-3-14(21(29)27-20-7-5-16(23)10-18(20)24)9-17(12)13-4-6-19-15(8-13)11-26-22(25)28-19/h2-11H,1H3,(H,27,29)(H2,25,26,28).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide?
3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide has a molecular weight of 390.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-(2,4-difluorophenyl)-4-methylbenzamide is sourced from PubChem (CID 58829783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).