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

C20H19BrN4O3 — CID 55724372

IUPAC3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C20H19BrN4O3/c1-2-22-19(27)14-5-3-4-13(8-14)10-23-18(26)11-25-12-24-17-7-6-15(21)9-16(17)20(25)28/h3-9,12H,2,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyQDJPWOFRGGZSHS-UHFFFAOYSA-N
MW443.30 g/mol
LogP2.23
Rot. Bonds6

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

3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide (PubChem CID 55724372) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
PubChem CID55724372
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC Name3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1
InChIInChI=1S/C20H19BrN4O3/c1-2-22-19(27)14-5-3-4-13(8-14)10-23-18(26)11-25-12-24-17-7-6-15(21)9-16(17)20(25)28/h3-9,12H,2,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyQDJPWOFRGGZSHS-UHFFFAOYSA-N
XLogP2.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
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-[[3-(cyanomethoxy)phenyl]methyl]acetamide
CID 86946539
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
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-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002
N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide
CID 55704344
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide (CID 55724372) is 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1.
What is the InChIKey of 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is QDJPWOFRGGZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c1-2-22-19(27)14-5-3-4-13(8-14)10-23-18(26)11-25-12-24-17-7-6-15(21)9-16(17)20(25)28/h3-9,12H,2,10-11H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide?
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 443.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 55724372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).