N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide

C16H13BrN4O — CID 1167232

IUPACN-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C16H13BrN4O/c1-10(22)20-12-3-5-13(6-4-12)21-16-14-8-11(17)2-7-15(14)18-9-19-16/h2-9H,1H3,(H,20,22)(H,18,19,21)
InChIKeyYFWCKRGLJRWEGH-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.09
Rot. Bonds3

About N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide

N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide (PubChem CID 1167232) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide
PubChem CID1167232
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC NameN-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C16H13BrN4O/c1-10(22)20-12-3-5-13(6-4-12)21-16-14-8-11(17)2-7-15(14)18-9-19-16/h2-9H,1H3,(H,20,22)(H,18,19,21)
InChIKeyYFWCKRGLJRWEGH-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide (CID 1167232) is N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncnc3ccc(Br)cc23)cc1.
What is the InChIKey of N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide?
The InChIKey is YFWCKRGLJRWEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c1-10(22)20-12-3-5-13(6-4-12)21-16-14-8-11(17)2-7-15(14)18-9-19-16/h2-9H,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide?
N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide has a molecular weight of 357.21 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 1167232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).