2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide

C19H15BrN4O3 — CID 86946539

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide
SMILESN#CCOc1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C19H15BrN4O3/c20-14-4-5-17-16(9-14)19(26)24(12-23-17)11-18(25)22-10-13-2-1-3-15(8-13)27-7-6-21/h1-5,8-9,12H,7,10-11H2,(H,22,25)
InChIKeyYROBAFWFEXMEEN-UHFFFAOYSA-N
MW427.26 g/mol
LogP2.38
Rot. Bonds6

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide (PubChem CID 86946539) has the molecular formula C19H15BrN4O3 and a molecular weight of 427.26 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide
PubChem CID86946539
Molecular FormulaC19H15BrN4O3
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide
SMILESN#CCOc1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C19H15BrN4O3/c20-14-4-5-17-16(9-14)19(26)24(12-23-17)11-18(25)22-10-13-2-1-3-15(8-13)27-7-6-21/h1-5,8-9,12H,7,10-11H2,(H,22,25)
InChIKeyYROBAFWFEXMEEN-UHFFFAOYSA-N
XLogP2.38
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
CID 55797996
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53028102
2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596320
4-bromo-N-[3-[[3-(cyanomethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 86946585
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-[(3-methoxyphenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602329

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide (CID 86946539) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide is N#CCOc1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide?
The InChIKey is YROBAFWFEXMEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O3/c20-14-4-5-17-16(9-14)19(26)24(12-23-17)11-18(25)22-10-13-2-1-3-15(8-13)27-7-6-21/h1-5,8-9,12H,7,10-11H2,(H,22,25).
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide has a molecular weight of 427.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 86946539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).