N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide

C21H21BrFN5O2 — CID 25016778

IUPACN-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(CN2CCOCC2)cc(Nc2ncc3c(F)c(Br)ccc3n2)c1
InChIInChI=1S/C21H21BrFN5O2/c1-13(29)25-15-8-14(12-28-4-6-30-7-5-28)9-16(10-15)26-21-24-11-17-19(27-21)3-2-18(22)20(17)23/h2-3,8-11H,4-7,12H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyHROQZAXJIBBUNW-UHFFFAOYSA-N
MW474.33 g/mol
LogP4.07
Rot. Bonds5

About N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide

N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 25016778) has the molecular formula C21H21BrFN5O2 and a molecular weight of 474.33 g/mol. Its IUPAC name is N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID25016778
Molecular FormulaC21H21BrFN5O2
Molecular Weight474.33 g/mol
Exact Mass473.09
IUPAC NameN-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(CN2CCOCC2)cc(Nc2ncc3c(F)c(Br)ccc3n2)c1
InChIInChI=1S/C21H21BrFN5O2/c1-13(29)25-15-8-14(12-28-4-6-30-7-5-28)9-16(10-15)26-21-24-11-17-19(27-21)3-2-18(22)20(17)23/h2-3,8-11H,4-7,12H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyHROQZAXJIBBUNW-UHFFFAOYSA-N
XLogP4.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide (CID 25016778) is N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide is CC(=O)Nc1cc(CN2CCOCC2)cc(Nc2ncc3c(F)c(Br)ccc3n2)c1.
What is the InChIKey of N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is HROQZAXJIBBUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrFN5O2/c1-13(29)25-15-8-14(12-28-4-6-30-7-5-28)9-16(10-15)26-21-24-11-17-19(27-21)3-2-18(22)20(17)23/h2-3,8-11H,4-7,12H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide?
N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 474.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromo-5-fluoroquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 25016778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).