3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide

C18H16BrN3O2 — CID 167403913

IUPAC3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H](C)n2cnc3cc(Br)ccc3c2=O)c1
InChIInChI=1S/C18H16BrN3O2/c1-11(12-4-3-5-13(8-12)17(23)20-2)22-10-21-16-9-14(19)6-7-15(16)18(22)24/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyYHHFXFBTCDIPMJ-LLVKDONJSA-N
MW386.25 g/mol
LogP3.13
Rot. Bonds3

About 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide

3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide (PubChem CID 167403913) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide
PubChem CID167403913
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@@H](C)n2cnc3cc(Br)ccc3c2=O)c1
InChIInChI=1S/C18H16BrN3O2/c1-11(12-4-3-5-13(8-12)17(23)20-2)22-10-21-16-9-14(19)6-7-15(16)18(22)24/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyYHHFXFBTCDIPMJ-LLVKDONJSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(1R)-1-[7-(5-bromo-1H-pyrazol-4-yl)-4-oxoquinazolin-3-yl]ethyl]-N-(trideuteriomethyl)benzamide
CID 167403903
3-[(1R)-1-(7-bromo-4-oxopyrido[4,3-d]pyrimidin-3-yl)ethyl]benzoic acid
CID 167403857
N-methyl-3-[1-[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
CID 164572319
N-methyl-3-[1-[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]ethyl]benzamide
CID 164572074
[2-(7-bromo-4-oxoquinazolin-3-yl)-2-(3-chlorophenyl)ethyl] carbamate
CID 175507315
N-(1-methylazetidin-3-yl)-3-[1-[4-oxo-6-(1H-pyrazol-4-yl)quinazolin-3-yl]ethyl]benzamide
CID 155594052
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
2-(7-bromo-4-oxoquinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 78961298
2-(6-bromo-4-oxoquinazolin-3-yl)-2-fluoroacetic acid
CID 81297594
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
2-(7-bromo-4-oxoquinazolin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 96503311
N-(4-bromo-2-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4899775

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide (CID 167403913) is 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide is CNC(=O)c1cccc([C@@H](C)n2cnc3cc(Br)ccc3c2=O)c1.
What is the InChIKey of 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide?
The InChIKey is YHHFXFBTCDIPMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11(12-4-3-5-13(8-12)17(23)20-2)22-10-21-16-9-14(19)6-7-15(16)18(22)24/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide?
3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide has a molecular weight of 386.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(7-bromo-4-oxoquinazolin-3-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 167403913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).