N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

C23H20N4O3 — CID 22732253

IUPACN-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3cccc(NC(=O)c4ccccc4)c3)c2cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-9-6-10-17(11-16)27-23(28)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyBLQGAUTUIVRLHZ-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.64
Rot. Bonds6

About N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (PubChem CID 22732253) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
PubChem CID22732253
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3cccc(NC(=O)c4ccccc4)c3)c2cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-9-6-10-17(11-16)27-23(28)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyBLQGAUTUIVRLHZ-UHFFFAOYSA-N
XLogP4.64
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (CID 22732253) is N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is COc1cc2ncnc(Nc3cccc(NC(=O)c4ccccc4)c3)c2cc1OC.
What is the InChIKey of N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The InChIKey is BLQGAUTUIVRLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-9-6-10-17(11-16)27-23(28)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 22732253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).