N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide

C22H23BrN4O3 — CID 55797996

IUPACN-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C22H23BrN4O3/c1-3-14(2)21(29)26-17-6-4-5-15(9-17)11-24-20(28)12-27-13-25-19-8-7-16(23)10-18(19)22(27)30/h4-10,13-14H,3,11-12H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyWNKZSODDPUXTPS-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.46
Rot. Bonds7

About N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide

N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide (PubChem CID 55797996) has the molecular formula C22H23BrN4O3 and a molecular weight of 471.36 g/mol. Its IUPAC name is N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
PubChem CID55797996
Molecular FormulaC22H23BrN4O3
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC NameN-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C22H23BrN4O3/c1-3-14(2)21(29)26-17-6-4-5-15(9-17)11-24-20(28)12-27-13-25-19-8-7-16(23)10-18(19)22(27)30/h4-10,13-14H,3,11-12H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyWNKZSODDPUXTPS-UHFFFAOYSA-N
XLogP3.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide with MolForge

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Related Compounds

3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]acetamide
CID 86946539
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
N-(3-aminobutyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide;hydrochloride
CID 119496250
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide?
The IUPAC name of N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide (CID 55797996) is N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide?
The canonical SMILES for N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1.
What is the InChIKey of N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide?
The InChIKey is WNKZSODDPUXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O3/c1-3-14(2)21(29)26-17-6-4-5-15(9-17)11-24-20(28)12-27-13-25-19-8-7-16(23)10-18(19)22(27)30/h4-10,13-14H,3,11-12H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide?
N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide has a molecular weight of 471.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]-2-methylbutanamide is sourced from PubChem (CID 55797996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).