4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide

C27H26FN5O2 — CID 44818858

IUPAC4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide
SMILESCc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C27H26FN5O2/c1-18-2-11-23-24(16-18)31-27(33-12-14-35-15-13-33)32-25(23)29-17-19-3-9-22(10-4-19)30-26(34)20-5-7-21(28)8-6-20/h2-11,16H,12-15,17H2,1H3,(H,30,34)(H,29,31,32)
InChIKeyNBQAGLPJFGLCAC-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.78
Rot. Bonds6

About 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide

4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide (PubChem CID 44818858) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide
PubChem CID44818858
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide
SMILESCc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N3CCOCC3)nc2c1
InChIInChI=1S/C27H26FN5O2/c1-18-2-11-23-24(16-18)31-27(33-12-14-35-15-13-33)32-25(23)29-17-19-3-9-22(10-4-19)30-26(34)20-5-7-21(28)8-6-20/h2-11,16H,12-15,17H2,1H3,(H,30,34)(H,29,31,32)
InChIKeyNBQAGLPJFGLCAC-UHFFFAOYSA-N
XLogP4.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide (CID 44818858) is 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide is Cc1ccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide?
The InChIKey is NBQAGLPJFGLCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-18-2-11-23-24(16-18)31-27(33-12-14-35-15-13-33)32-25(23)29-17-19-3-9-22(10-4-19)30-26(34)20-5-7-21(28)8-6-20/h2-11,16H,12-15,17H2,1H3,(H,30,34)(H,29,31,32).
What are the key properties of 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide?
4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide has a molecular weight of 471.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 44818858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).