N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide

C22H18BrN5O2 — CID 25016515

IUPACN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C22H18BrN5O2/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22/h3-12H,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyWTSXHWDLOOTSCM-UHFFFAOYSA-N
MW464.32 g/mol
LogP4.46
Rot. Bonds4

About N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide

N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide (PubChem CID 25016515) has the molecular formula C22H18BrN5O2 and a molecular weight of 464.32 g/mol. Its IUPAC name is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide
PubChem CID25016515
Molecular FormulaC22H18BrN5O2
Molecular Weight464.32 g/mol
Exact Mass463.06
IUPAC NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1
InChIInChI=1S/C22H18BrN5O2/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22/h3-12H,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyWTSXHWDLOOTSCM-UHFFFAOYSA-N
XLogP4.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide (CID 25016515) is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide is CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1.
What is the InChIKey of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
The InChIKey is WTSXHWDLOOTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22/h3-12H,1-2H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide?
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide has a molecular weight of 464.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 25016515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).